33式Viewer
距離の式
1:E[dD,dP,dH]
3:E[dD,dP,dHac,dHbs]
4:E[dD,dP,dHacLa,dHbsLa]
7:E[dD,dP,yED,yEA]
8:E[dD,dP,yEDLa,yEALa]
11:E[dD,dP,AbraAcid,AbraBase]
19:B[dD,dP,dHac*dHbs]
20:B[dD,dP,dHacLa*dHbsLa]
23:B[dD,dP,yED*yEA]
24:B[dD,dP,yEDLa*yEALa]
27:B[dD,dP,AbraAcid*AbraBase]
2:E[dDfg,dP,dH]
5:E[dDfg,dP,dHac,dHbs]
6:E[dDfg,dP,dHacLa,dHbsLa]
9:E[dDfg,dP,yED,yEA]
10:E[dDfg,dP,yEDLa,yEALa]
12:E[dDfg,dP,AbraAcid,AbraBase]
21:B[dDfg,dP,dHac*dHbs]
22:B[dDfg,dP,dHacLa*dHbsLa]
25:B[dDfg,dP,yED*yEA]
26:B[dDfg,dP,yEDLa*yEALa]
28:B[dDfg,dP,AbraAcid*AbraBase]
13:E[dDvdw,dDfg,dP,dH]
14:E[dDvdw,dDfg,dP,dHac,dHbs]
15:E[dDvdw,dDfg,dP,dHacLa,dHbsLa]
16:E[dDvdw,dDfg,dP,yED,yEA]
17:E[dDvdw,dDfg,dP,yEDLa,yEALa]
18:E[dDvdw,dDfg,dP,AbraAcid,AbraBase]
29:B[dDvdw,dDfg,dP,dHac*dHbs]
30:B[dDvdw,dDfg,dP,dHacLa*dHbsLa]
31:B[dDvdw,dDfg,dP,yED*yEA]
32:B[dDvdw,dDfg,dP,yEDLa*yEALa]
33:B[dDvdw,dDfg,dP,AbraAcid*AbraBase]
入力
Solvent Score QEuclid-1 QEuclid-2 QEuclid-3 QEuclid-4 QEuclid-5 QEuclid-6 QEuclid-7 QEuclid-8 QEuclid-9 QEuclid-10 QEuclid-11 QEuclid-12 QEuclid-13 QEuclid-14 QEuclid-15 QEuclid-16 QEuclid-17 QEuclid-18 QBeerb-19 QBeerb-20 QBeerb-21 QBeerb-22 QBeerb-23 QBeerb-24 QBeerb-25 QBeerb-26 QBeerb-27 QBeerb-28 QBeerb-29 QBeerb-30 QBeerb-31 QBeerb-32 QBeerb-33 acetone -3 12.48610843 9.791574612 12.52002733 17.93266152 9.735316579 11.05735101 12.88070656 10.3125561 9.921711881 9.904243505 17.69954218 15.95938528 9.783682541 11.54660566 11.05272797 9.961163633 9.908251995 16.10149839 102.8610848 104.9619325 96.48222043 95.00196116 160.6635986 187.4024668 98.59886097 103.6994296 103.7529312 96.35986767 96.34476134 99.1204418 96.92453572 102.895964 96.87658167 ethyl isobutanoate -1.854 10.76130923 7.108277751 10.76932133 17.58876683 7.070276631 9.212977508 11.35769752 8.82192647 7.307052883 7.266036051 15.44889172 13.10058795 7.126495882 9.067264757 9.300995593 7.303575925 7.286092696 13.2900556 74.05813578 78.385234 50.91336201 49.94911148 127.4005637 148.0895708 52.18465939 56.42076893 74.87104015 49.42669169 51.02516167 50.81774027 51.41492953 57.65309322 49.93430934 tetrahydrothiophene -1.523 6.176378542 4.633459448 6.180952572 13.35758094 4.625316474 8.588043002 6.426761796 3.950542367 4.549029159 4.693472127 7.781591164 6.748987027 4.551115752 6.514946779 8.621770873 4.507197258 4.663089233 6.622336944 12.63827688 13.64556503 19.31631672 18.66653997 39.19248488 63.00210958 20.57945822 27.79490055 12.90530272 18.04431508 18.9189411 19.27340754 19.16534822 28.57235258 17.41724263 cyclohexane -1.444 7.874586375 5.321849781 7.806312682 14.61752583 5.210797694 6.013641096 8.552832191 6.364598827 5.56723973 5.599629057 9.820060012 7.718007527 5.40513805 7.058838457 6.155736018 5.583787147 5.64222784 7.815891942 38.62598075 42.65228983 30.87030121 30.23236149 67.61670522 79.14728036 29.902497 30.29519852 39.20183 29.66460505 31.02635083 29.7850588 31.29873639 30.81866604 29.75097282 hexane -1.367 11.40128984 8.052162111 11.35363031 18.28419629 7.890404999 8.706751235 11.92608258 10.06277287 7.92771538 7.907411545 14.38790116 11.37240097 8.26418554 9.360471915 8.908916837 8.013112204 7.995063384 11.37610962 96.18039736 102.7136689 60.99763233 60.11272254 112.847661 153.1558507 60.60498585 64.78630976 97.19332412 59.40084429 61.84340957 59.2835245 63.19226907 65.14440971 59.93311133 decane -1.149 10.47296999 7.25034943 10.42351276 17.37071503 7.090528552 7.969556917 10.977067 9.155031925 7.065983461 7.051382017 13.52218725 10.60616766 7.640337652 8.701429648 8.26602428 7.290994986 7.281365273 10.69628083 78.97186236 84.99757475 48.00970744 47.26878645 91.04427449 130.6762851 47.82826164 51.92674385 79.88967719 46.56397455 50.93007843 48.59365295 52.16875186 53.98355709 48.82557853 chloroform -0.796 7.103262308 6.38936906 8.376364957 24.20215883 7.85805018 21.90612747 7.574855168 5.0253649 6.520542192 6.317578492 9.567331387 9.403119383 6.27249245 8.988485204 21.95941514 6.509728143 6.365199057 9.329810952 28.66154885 54.23105298 30.29795553 48.34411268 67.99988383 54.60575419 34.74744288 25.2412861 20.74279127 29.37284416 30.00752622 49.65643604 39.24126585 29.2519864 30.66929518 carbon tetrachloride -0.495 5.755007587 6.331839421 5.703029501 12.40931062 6.147833381 6.707579971 6.512596781 4.196795037 6.593157514 6.536827068 8.942820084 9.69157334 6.305902151 7.502471778 7.032628866 6.677842045 6.608236976 9.644059667 15.93831726 18.53854367 43.46937826 42.48884022 30.98808784 47.00973899 41.13023555 40.99820013 15.93898311 36.2177292 43.30239088 42.06938832 44.01148162 42.7099877 37.62003861 benzonitrile -0.387 8.260361444 6.543920429 8.242914281 12.1566345 6.397167161 7.246767966 8.808555616 6.800874235 6.998828383 6.950803319 10.1614623 8.900660967 6.728808534 8.115736432 7.203094946 7.140716952 7.033982263 9.029986222 44.69525076 44.26323646 47.76448445 46.95339256 73.71559837 95.63651612 49.76885887 52.64710676 45.08756941 48.73490138 49.05821055 52.64105083 49.27661643 53.12046923 49.87845054 fluorobenzene -0.229 6.173036787 4.825066286 6.403788724 12.48309299 4.862607433 5.468169799 6.960581937 4.416629911 5.123962109 5.150286739 8.184301601 7.199781655 4.810780745 6.69580496 5.503784609 5.043313816 5.082472404 7.117649788 18.50707766 20.85591407 26.6285771 25.98694195 45.09888126 56.12527932 25.5153926 26.0395813 18.9881222 26.23900086 25.55039619 25.46071771 25.69085955 25.72432392 25.35365752 nitrobenzene -0.097 7.185376152 5.667280543 7.12473763 11.20284726 5.520337648 6.409268182 7.439319914 5.340977946 5.829249206 5.738983636 8.228426704 7.259554318 5.698278519 7.240437014 6.363767249 5.902702753 5.762952326 7.308992831 27.40547213 27.29527614 32.92682419 32.32246389 52.11196988 68.936165 34.56037067 34.71245397 27.88364012 35.30592202 33.23256766 35.89201137 33.44129257 35.02957756 35.33212235 pyridine -0.051 7.861458087 6.330708378 7.745332069 13.07155076 6.189432933 9.3463663 7.893223059 5.591581518 6.267582527 6.161735264 11.45834345 10.81717424 6.313090412 7.879126561 9.327810703 6.334490743 6.213107258 10.98546865 24.7533859 26.3005565 29.51455413 29.50113136 48.1247305 77.76396027 36.36812994 43.29679884 25.07973756 30.92344396 30.08053022 33.01729943 31.12180129 43.77344983 31.53030036 trans-decahydronaphthalene 0.114 7.856394817 5.776502965 7.865748316 14.56121675 5.765109446 6.06492941 8.565625313 6.712830924 5.923932731 5.915650606 9.933449517 8.138613396 5.975921965 7.293699429 6.269549868 5.976615882 6.0036376 8.292934852 42.85951339 46.32882326 34.54975145 33.86973224 60.58837011 79.70989226 33.70116624 34.00779492 43.45524126 33.72418097 35.24781744 33.06388237 35.92416705 35.3522 34.06082901 trichloroethylene 0.146 6.953112798 6.264834711 6.907812609 12.83124412 6.048274797 6.761530281 7.678937574 5.221816768 6.645435999 6.599755601 9.987347803 9.691533169 6.247094864 7.660094549 6.897193817 6.708658033 6.61760223 9.563266034 25.30027517 26.29187385 44.71456122 43.44234243 54.49380425 62.26993034 41.91029384 39.74901586 25.0594195 34.06389558 44.17304124 44.71688646 44.37372793 39.61271592 34.59654309 mesitylene 0.176 5.442319475 3.631749886 5.478073315 12.19784669 3.618827162 4.558339298 6.266538258 3.936805015 4.034811711 4.077325309 7.644205824 6.409689529 3.929237158 5.770380469 4.737927569 4.162011347 4.239809496 6.611802794 13.71265089 16.27206689 15.48963991 15.01311073 37.95971787 42.09778939 15.30213635 16.53485873 14.07915087 14.58881982 16.64983184 16.08084301 16.67306925 16.758942 15.4790197 benzene 0.23 5.275615856 3.752439544 5.496859423 10.90862391 4.039320902 3.621444989 5.460265354 3.008434509 3.603175867 3.654107547 7.294051525 6.516259967 3.720865611 5.930474232 3.690521427 3.601265879 3.661431659 6.638401329 7.776928593 9.153324988 12.80912023 12.29904441 20.67772249 33.62032662 10.90188115 13.40753744 8.033466531 12.26962071 12.70577401 12.64803011 12.65694182 12.26875816 12.18856785 cis-decahydronaphthalene 0.342 7.856394817 5.776502965 7.865748316 14.56121675 5.765109446 6.06492941 8.565625313 6.712830924 5.923932731 5.915650606 9.933449517 8.138613396 5.975921965 7.293699429 6.269549868 5.976615882 6.0036376 8.292934852 42.85951339 46.32882326 34.54975145 33.86973224 60.58837011 79.70989226 33.70116624 34.00779492 43.45524126 33.72418097 35.24781744 33.06388237 35.92416705 35.3522 34.06082901 toluene 0.447 5.436742901 4.082349285 5.422390073 11.92452967 4.037274458 4.429437519 6.158798988 3.805982321 4.35753381 4.394720656 7.376235891 6.535874246 4.149878473 5.940019147 4.554679077 4.327583819 4.419194923 6.624014924 13.36559178 15.79795041 18.66115849 18.11792027 35.41749609 42.685171 18.4308551 18.12499866 13.72281187 17.73043612 18.61398871 17.78044075 18.76188399 18.73280985 17.63140032 bromobenzene 0.519 4.885469238 4.543796736 4.865354056 9.97313968 4.476275527 5.295251726 4.954135943 2.504998713 4.500416046 4.479260976 5.893444735 6.37888718 4.412073838 6.135106032 5.462616237 4.571019803 4.524311938 6.342472577 5.908679636 6.630921236 20.42283027 19.93222101 22.44528501 33.09337664 19.91888577 20.06617003 6.11756284 20.48058512 20.33904974 20.92816737 20.52156249 21.44043688 21.17890552 o-xylene 0.716 5.569923621 3.872352463 5.576439043 12.36138124 3.812937239 4.739157339 6.380764571 4.051060407 4.222936954 4.224092505 7.539475273 6.266770482 4.066560062 5.812927867 4.880806847 4.271982706 4.306935624 6.352532051 15.12299783 17.83932877 17.47423298 16.94707471 38.03440942 44.74212404 17.05713464 16.94165867 15.54364294 16.6547292 17.95062793 17.21901578 18.04640756 17.40912622 16.90165978 1,1,2,2-tetrachloroethane 0.724 6.982495523 5.941106425 7.598531588 13.44200731 6.655924159 7.240480479 7.588225746 5.029499511 6.230098834 6.151997458 11.55565434 11.18904377 5.823761785 8.012225714 7.332940707 6.225645457 6.130153956 11.04901158 28.72418586 23.750602 32.88497361 37.70284642 56.09676314 63.99078989 37.66621481 33.47434468 22.4561738 15.4531704 31.77572126 38.05248821 38.59739096 34.48781776 15.14909337 anisole 0.748 6.367162938 4.747304021 6.510114401 17.08575035 4.918509906 13.86414581 6.421568735 3.707619297 4.459270611 4.361354639 8.69880511 7.872760688 4.746618427 6.86731542 13.90307123 4.498135271 4.396208182 8.027049214 13.10426915 12.68757371 18.9729571 17.99158642 39.99173305 47.45597822 19.59929851 18.83412234 13.42109185 18.48034018 19.2416401 19.31954175 19.2666048 19.07105896 18.74486442 2-methylthiophene 0.833 6.232129101 5.099885559 6.332185566 12.13171773 5.266610924 6.843322894 5.707482152 3.12233966 4.130943933 3.967566442 6.796914582 6.223901123 4.950044006 6.94367616 6.882523372 4.035213743 3.900716812 6.256078376 8.618141671 11.10509096 16.4824798 16.36206162 30.568502 35.26476292 16.89546116 11.22639109 8.85518084 15.96763964 16.00337683 16.07451776 16.10256456 11.56790065 15.4868452 chlorobenzene 0.845 4.367893153 3.506352858 4.292969858 10.357934 3.379506131 3.793856624 4.895028465 2.302393111 3.715512422 3.772153643 6.374092644 6.094789064 3.401927032 5.249448535 3.824463845 3.638970415 3.708491795 5.972600452 4.795570693 5.645761938 14.1004814 13.46057946 19.99301103 30.37134895 13.1974277 13.68413828 5.07640242 13.92556962 13.28314456 13.14529545 13.38215762 13.66481695 13.20598992 1,2,4-trichlorobenzene 0.929 4.433943583 3.327888978 4.337417058 9.060594867 3.134493026 4.010929374 4.688997329 2.800296166 3.607952417 3.512673315 7.722360089 7.425028861 3.284334704 4.925735989 4.017962888 3.683188288 3.521956044 7.214434898 7.910186425 7.256488677 13.01432213 12.4317532 16.35506575 24.55406164 10.70847652 10.54152738 7.873449356 11.38873554 12.78642191 13.97270757 12.61469788 10.16534661 11.22125844 1,2,3,4-tetrahydronaphthalene 1.204 4.727669356 3.636573014 4.702913849 11.676745 3.584505991 4.611682721 5.511733493 3.425614504 3.891580085 3.922104234 6.882571562 6.185914562 3.829603047 5.369070073 4.758998343 3.928700093 3.997648666 6.330533701 10.6573161 13.17788105 14.89116445 14.47865417 25.26332293 34.55044422 14.32991314 14.18394617 10.98335203 13.84385973 15.24728263 14.18023471 15.40174338 15.0371913 14.08119025 o-dichlorobenzene 1.431 4.121984911 3.142179468 4.055100516 9.725285531 2.972163403 3.811598104 4.6600958 2.218349378 3.536711331 3.460550893 7.949752736 7.640379255 3.075419014 4.855388344 3.826062827 3.544386209 3.422781433 7.431000874 4.748188833 4.881112827 12.49783346 11.86583522 14.1308912 25.81192562 10.35517827 10.69063343 4.879602317 11.38162765 11.88786315 12.45174981 11.86884552 10.34292445 10.81693298 1-methylnaphthalene 1.519 3.174648248 2.433864681 3.209366124 8.724476241 2.542722917 2.105549402 3.490200168 0.960696468 2.411304974 2.425141014 4.655735241 4.716200962 2.712466901 4.687919558 2.309160739 2.544538015 2.616607129 4.919570999 0.358159502 0.68327081 5.122666859 4.789147613 10.1592731 20.97306901 5.696750184 6.336999102 0.412493934 4.632297621 6.183081614 5.97589748 6.150725388 8.219845461 5.31213436 1,5-dimethylnaphthalene 1.556 3.927706402 3.765046057 4.08835932 9.756488066 3.998760373 3.075980712 4.382553091 2.581307658 3.747578921 3.695734585 5.419432571 5.629364963 3.917174323 5.623857863 3.337585924 3.758682002 3.815996747 5.751658011 5.811422295 7.11344725 12.65761608 12.35776856 17.78954806 25.37802096 13.35820823 13.16820429 5.914933093 11.68673109 13.57548713 12.04984377 13.62362113 15.44770245 12.14641122 1-phenylnaphthalene 1.699 2.173617729 1.775089619 2.224860802 7.793244493 1.954788879 1.45977506 2.768384126 0.880353904 2.040336591 1.980812899 5.277192426 5.65484182 2.329690604 4.14140688 1.822576907 2.290974504 2.325014628 5.964612689 0.132788353 0.088336489 2.603840639 2.394990815 6.414137489 16.55853372 3.809898541 4.977485684 0.081807112 1.888960656 4.227408037 3.949103518 4.195459582 7.531013516 3.15714516 1-chloronaphthalene 1.708 3.240379803 2.321432816 3.179655298 7.783544133 2.306986601 2.026354638 3.114877406 1.404571072 2.059386167 2.189112341 3.774724612 3.906714477 2.386265616 4.319416021 2.04086895 2.10988858 2.2466415 3.889903738 1.709700359 1.160734375 4.148134221 3.810051698 6.970054987 19.03415006 4.250336733 5.467850162 1.707313912 4.202161051 4.41938553 4.791116075 4.363269552 6.516823351 4.194285008
Graph