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 Cyclohexyl- pyrrolidinone 0.544068044 3.300023051 3.345311396 3.308083323 3.921786607 3.232510688 5.857330394 4.047809437 3.844842265 3.993910381 3.827529043 5.890949961 5.76054362 3.112954112 3.029324814 5.695255528 4.024669364 3.932133821 5.851311246 9.380675187 7.383308055 7.896302922 6.656100364 -19.12969973 -19.62905688 -19.80383287 -15.15708564 9.260296099 20.33005687 8.215266302 15.94756353 -23.23114547 -14.69153181 40.2462095 Dimethyl- tetrahydro-2- pyrimidinone -0.187086643 0.76466535 0.98639926 0.970049956 4.1688827 1.066936759 2.451419125 2.342057343 2.617915427 2.30374429 2.617566886 6.304536023 6.297875187 1.355969977 1.437435964 3.003281899 2.413570774 2.671166525 6.233326028 -0.238202465 -0.077640784 -0.259459212 -0.642278874 -32.21690906 -35.42677465 -36.49981521 -30.24403145 -0.221761884 10.61081811 -0.194798262 7.206051562 -38.327571 -31.35479556 28.85097658 N-butyl- Pyrrolidinone -0.554395797 2.438498572 2.392231565 2.493869861 4.093486147 2.192926586 5.815646504 3.455484526 3.410336082 3.604668349 3.419530301 4.397147325 3.950898976 2.206512898 2.145470655 5.801905036 3.53603552 3.449960371 4.018358491 4.304911533 8.151067593 3.794646979 3.904440458 -23.76168155 -26.43301152 -27.86798921 -21.8884486 3.394375524 18.62760714 3.512802794 12.94686839 -29.70704152 -22.83076624 34.27028629 Benzyl- pyrrolidinone -0.744727495 3.227050575 2.734998095 2.985984975 4.017079693 2.533505357 5.909109917 4.398389061 4.086085891 3.612869275 3.54694685 2.834573502 2.718909106 2.525431309 2.214275471 5.557600952 3.690254342 3.691756606 2.800776891 11.59520274 4.190460078 6.003083003 4.563720875 -16.08117592 -17.93485064 -18.03136911 -16.97002666 12.08999806 12.37412581 6.926581061 12.00405222 -22.37267769 -16.57465368 36.32008161 N-methyl- pyrrolidinone -0.935542011 1.260599053 1.123842294 1.408211554 4.449927347 1.539381971 6.293870713 3.162827204 3.307727579 3.077788663 3.288691618 2.77005988 2.920217119 1.69958424 1.872044716 6.358331943 3.148123158 3.365583574 2.856346826 0.732559817 2.689890443 0.880151354 2.307291043 -27.84159528 -32.63571068 -34.20818675 -28.09154695 0.802752301 11.40936295 1.08609507 10.08139462 -32.69473697 -28.61010497 30.65967106 3-(2-oxo-1- pyrrolidinyl)propa nenitrile -0.93930216 4.605078743 4.382309256 4.827792617 7.009788507 4.914673687 8.270978983 5.902915103 5.685242659 5.677071756 5.589586518 6.677859083 6.849370881 4.665842741 5.053783932 8.393824132 5.434148882 5.479448978 6.767793002 18.24203919 22.03587322 19.11953045 20.55984501 -0.180600052 -3.805113996 -8.762957095 -1.583282717 18.73651106 23.05488264 18.95961818 21.48226054 -7.579977172 -1.189352897 36.02258821 N-ethyl- Pyrrolidinone -0.995678626 0.882975972 1.005369639 1.143245429 4.127001227 1.18721701 5.996192663 2.857747553 3.005880976 3.03944488 3.111261081 1.548709619 1.265435529 1.255558175 1.407160027 6.054487153 3.028252851 3.148536825 1.163036907 -0.107581938 3.498935921 0.535594567 1.561050095 -29.64681869 -32.61208801 -35.28042582 -27.45516844 -0.8461945 13.3698829 0.329455978 9.962844153 -35.08666902 -28.21364466 30.42638064 N-Octyl- pyrrolidone -1.036212173 4.801867575 4.590234845 4.796092473 4.969523162 4.323040531 6.192439889 5.055869779 4.740624374 5.070736722 4.5644262 9.477619468 9.027727177 4.357825727 4.246611277 6.159688312 5.002757458 4.624859153 9.127353857 17.07495025 21.7171584 14.23474873 13.48706333 -6.84036859 -11.58139773 -10.73093316 -8.916153361 16.03715845 31.58450153 14.20425981 23.82302884 -13.70603096 -9.626929323 45.97279337 N-vinyl- Pyrrolidinone -1.075720714 0.770941422 0.743305874 0.857927145 4.064301163 0.984253259 6.004941985 2.916314117 3.031019201 2.920242209 3.058712201 1.347938992 1.324164544 1.149657193 1.232152998 6.027010424 2.962960863 3.131534204 1.292768854 0.025224598 1.842784695 0.125200187 1.044455523 -29.0673846 -32.04999772 -34.28881068 -27.34576416 0.06744092 11.93640134 0.186586985 9.250656066 -33.90744536 -27.60930353 30.70074037 dimethyl- imidazolidinone -1.080921908 2.153714139 2.142687764 2.242005453 4.517657279 2.277463065 3.047053663 2.455250654 2.922118833 2.241209061 2.811785814 6.437295185 6.498759539 2.562802886 2.619205174 3.591639993 2.5566529 2.901671952 6.435478046 0.547800429 0.217027331 0.169443464 0.342156645 -36.45794553 -36.53226068 -42.8250376 -31.86596773 1.123398749 10.16672548 0.456949087 8.201278097 -44.60713181 -32.92423222 29.87022616 dimethylacetamide -1.387216143 5.581589148 5.522449553 5.009891344 7.221089607 4.998119228 8.102446857 6.516874938 6.112385023 6.520061059 6.10147101 6.380804559 6.392756108 5.85384492 5.24771029 8.418094092 6.260487438 6.006288253 6.254708861 16.34357167 27.98997925 18.68105063 22.3330685 8.093293848 -2.856348809 -1.975311086 -0.313134745 14.09555216 27.58673377 18.05990497 26.2062799 5.637621649 0.002210085 37.65563033 N-formyl-piperidine -1.408935393 2.706310475 2.455285902 2.918242952 5.537777563 3.007130454 6.796720428 6.070620999 4.72737727 5.923944081 4.678362228 5.921503059 5.917960745 2.7560364 3.124679317 6.970234364 5.671073316 4.639236907 5.976680947 4.812376622 9.066546795 5.58447518 6.955975009 2.104710494 -11.29962196 -2.160441811 -9.206989034 5.875917486 17.07612045 5.613215896 11.68362504 5.31971138 -6.534214358 30.47020403 N-dodecyl- pyrrolidon -1.522878745 6.109001532 5.80547618 6.09530836 5.700719641 5.53328665 6.607265885 6.162135741 5.64541981 6.070475333 5.348968494 12.21009703 11.73195831 5.58193772 5.467449609 6.573233248 6.014222314 5.439018147 11.84826805 27.42623721 32.5773702 22.65742355 21.48229755 9.424533151 0.007449564 5.74651613 1.06974643 26.50487575 40.98506626 23.04805469 32.52852595 2.950525733 0.587637098 55.09342768 dimethylformamide -1.638272164 7.265572698 7.282609237 5.803428848 7.874477741 5.843963136 8.704687798 7.51996039 6.741093275 7.571245289 6.780743789 6.583952928 6.574959295 7.634443752 6.122344016 9.080745539 7.354310713 6.720070489 6.495264668 24.48177299 36.35679473 27.73667829 30.86308584 22.17691417 4.098765044 12.79369454 6.865942288 22.75859901 37.86057566 27.19352332 35.82563748 25.93147701 8.492209635 49.19973369 benzyl acetate -1.716698771 4.610999448 4.802922941 4.427967155 6.625604243 4.346255957 8.444825763 7.059656205 6.890467563 7.095947737 6.912621214 8.468384502 8.330504133 4.641357766 4.258895228 8.284374702 7.127513729 7.036555023 8.404847739 24.10869091 21.30184434 22.4855916 21.0005189 27.99958791 36.53599143 34.14874367 34.004326 23.98327299 37.45788706 22.87469466 35.30185008 43.36678944 45.81879631 64.40640784 propionitrile -1.823908741 7.172666559 6.298498467 7.675040403 11.24214383 6.886149791 11.95120497 9.596676251 9.133744655 9.36842217 8.681373158 15.39784768 14.84120919 6.578631075 7.151779656 12.30326142 9.069947735 8.571956794 14.85835951 43.88717629 66.07815297 39.41190427 43.03370098 49.18274744 39.08340316 23.44347398 29.92470044 41.62028062 62.23478221 37.28216397 50.54215678 41.98417705 33.41824956 63.65078663 acrylic acid -1.860120914 7.515231349 7.799892939 12.37622057 17.95414357 12.43162703 18.29913949 8.085044715 7.431306024 8.398948125 7.622918767 30.69523655 30.32328687 8.154044375 12.60246192 18.69552726 8.445428934 7.748401945 30.53463836 35.84816603 14.22061421 38.52253473 7.882689807 -0.076706375 1.306852666 5.578225683 3.089803111 5.760783766 110.7662311 37.99562994 27.29292225 32.54917844 20.60366663 59.49895091 Bis(2-hydroxyethyl)sulfide -1.866461092 11.98697931 12.12758085 13.87582296 22.36256304 13.93716776 21.1212677 5.298552796 5.95876868 4.998494874 5.825846432 23.74433654 23.46101052 12.33380908 14.07201532 21.4798151 4.992018037 5.859644639 23.62830861 86.1768512 83.28850289 80.5244553 69.41416858 29.23671002 6.842568684 41.54680434 4.20503042 36.32057378 26.3647786 79.09706471 73.68663035 60.7702545 17.64777521 66.29448812 monoethanolamine -1.876148359 14.47508882 14.72604476 16.61266354 22.53733114 16.73466047 21.31702623 5.594769442 4.868697127 5.894940909 5.162438733 30.21888605 29.9293177 14.97067183 16.95658265 21.77304696 5.899320074 5.23350801 30.10002494 112.4513301 91.49608981 110.1778375 76.61810109 24.00532576 15.23398308 32.03987498 13.7632707 49.61272341 38.02015832 107.7139476 84.16333242 55.86698244 32.67547264 89.85592586 cyclopentanone -1.88941029 2.856280468 2.841719877 2.870393488 8.341976226 2.927590516 10.34707112 5.641407415 4.813864313 5.702544086 4.893621805 8.671065948 8.689860227 2.951947991 2.973518039 10.35198543 5.653917467 5.016071485 8.739418917 0.788590991 1.147637805 1.225003375 0.548212813 1.617725615 -3.381742481 0.32888661 -3.064555078 0.257776366 13.19303763 1.508463713 12.01738903 12.82522789 4.68451136 37.083793 m-chlorophenol -1.920818754 5.020312422 4.257888872 10.86483757 22.26485073 10.55925465 21.99762355 8.992291646 8.418485908 8.132831815 7.756998749 30.99414771 30.66925335 4.518965779 10.52387432 22.19978007 8.261089064 7.984444984 30.87613291 21.4598719 36.66257298 10.02757063 29.15566483 0.560460114 7.392615127 1.553485437 0.206422272 6.920619744 107.4791757 12.79273983 43.38538824 13.44460619 13.27709911 40.98271052 acetone -1.958607315 4.121530814 3.886272167 4.392007788 8.589116125 3.944188049 9.968821829 7.168313948 6.498733846 7.475394871 6.539207059 8.296453814 7.750389983 4.149059641 4.328635212 10.27236345 7.336729008 6.559083978 7.780226409 11.99383109 28.99830066 13.46108925 17.66362313 19.1621849 14.00899579 8.031046775 11.09348578 9.789067514 38.5529108 12.04357494 32.2811483 28.74961316 19.46765898 51.86148566 benzyl benzoate -1.962573502 4.685001098 4.499924508 4.543565242 10.40905174 4.345068542 12.42835723 6.911744534 6.892112127 6.58494336 6.688076531 7.645637144 7.62008485 4.271865579 4.091340972 12.15449085 6.51873194 6.77749651 7.675517636 16.82593259 11.58906278 12.34526417 12.073099 26.34135562 44.36761412 30.24827008 36.86018178 16.68663631 19.58723343 13.10862889 21.44421279 36.56730774 49.46821652 46.15033308 isopropyl alcohol IPA 2-propanol -1.978810701 7.75742363 7.488913401 10.30527951 18.75773242 9.846561678 16.95341322 7.699210254 7.115634157 7.624963106 6.729066972 12.92156935 11.91073265 7.663916103 10.08211613 17.49277539 7.526698538 6.742423563 12.10948965 59.00092448 93.67472396 52.31537497 64.92810968 19.17246354 23.97139397 12.19918494 15.73261202 25.48077338 63.90284598 49.9171209 78.93751802 31.7597423 29.60141526 65.29206713 cyclohexanone -2.167491087 2.860251584 2.791216686 2.956966898 8.278389249 2.931028088 10.28252217 5.578526647 5.047237057 5.547532963 5.049465536 12.10924812 12.10885155 2.73747554 2.832683079 10.21210552 5.436153959 5.119452221 12.15189124 1.925392483 1.122828938 1.489855136 0.203881887 2.09752861 1.910474142 1.946811321 1.32487852 2.028106669 11.63420052 1.620220592 9.98774958 10.8392014 8.177593632 34.90473321 toluene -2.301029996 7.142181647 7.256450246 7.048550745 14.28714323 6.96945652 16.22016281 9.067488435 8.779449757 9.112928775 8.802577287 17.85649093 17.76936073 7.048630918 6.819473509 16.00110985 9.14308506 8.931884192 17.8424892 44.7395361 42.36012106 42.2566642 42.18582517 71.0559355 91.54410776 81.93650507 82.76196782 45.7028332 58.19428243 42.69480179 58.46492131 96.83261943 103.3793197 89.95494719 triethylene glycol -2.431798276 10.82683009 10.99882449 11.565011 22.48743414 11.57318159 21.17125087 4.242824776 5.026379275 4.481280314 5.0778736 17.34655857 16.93762278 11.19575888 11.77755574 21.5955155 4.372799411 5.039079092 17.08063356 58.16775484 93.24741134 56.73336125 73.33278639 3.568652758 24.94243742 3.700975083 20.02650166 26.53014558 28.70145211 54.73419978 79.13772289 15.72432235 39.98849959 60.28796481 formamide -3.522878745 18.12152188 18.26674085 20.32035986 23.51406941 20.55853709 23.79004511 16.06332155 14.67400883 16.21933613 14.88276959 29.58747978 29.50689144 18.69170002 20.82003107 24.28254818 16.12303794 14.91482651 29.68487667 252.6623962 199.1843674 260.9097954 197.5204056 164.1056831 178.5557829 150.5299312 181.2067492 183.6881283 247.5109315 260.8866376 202.5628122 180.9082873 197.8366713 217.2763508 benzyl alcohol -3.554395797 6.15635601 6.214640274 7.72607473 22.34112937 7.655111374 21.07695296 7.060473148 6.618400803 6.67693471 6.371044912 14.52185911 14.21476039 6.316739785 7.700874995 21.37242331 6.701801142 6.496316844 14.41811118 37.82692333 90.05976093 32.34976605 76.75275182 13.16538131 20.13074412 21.75080634 15.95541754 19.10844006 48.64166669 32.82011975 84.9881816 32.82333022 30.21890414 53.34024666
Graph