33式ビュアー
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 12.25626722 9.504504126 12.31364622 14.12075252 9.430256666 11.05046331 12.73297972 12.0085894 9.837667118 9.915324686 17.89814644 16.0660039 9.671159815 9.555340769 11.17767293 9.989123685 9.887801992 16.21843996 105.7360101 101.8560844 93.74634519 95.56925125 154.0189577 149.8166081 97.23768104 96.47729417 145.2053867 95.00058099 98.86353844 95.96935399 98.32828582 97.42294236 98.80769816 ethyl isobutanoate -1.854 10.47741461 6.94119339 10.52108023 13.40853155 6.811813198 9.216278697 11.15077003 10.37254885 7.284419092 7.162749558 15.79059553 13.26755969 7.033941971 6.936964651 9.291188399 7.302717746 7.011391901 13.39225693 78.88378753 73.49568439 49.77125081 50.37271333 120.0195316 113.6223225 51.15721894 50.8684352 107.350118 48.72798349 51.16803145 48.90688391 50.80327231 50.55220852 50.88668527 thiophene -1.523 6.290117066 5.584552275 6.558757356 7.763906943 5.931777628 6.590285494 4.779405296 4.358519664 3.71224899 3.828151181 6.134759564 5.532908787 5.467004123 5.933460267 6.713919161 3.697278825 3.818408307 5.595592199 6.137063839 5.916316284 13.12194157 13.83533783 22.60492438 25.23491297 13.43224931 13.32775845 16.80504212 12.55991932 13.50005743 12.4569745 12.96394606 13.49571252 14.25508186 cyclohexane -1.444 7.566066572 5.224050218 7.539552428 9.944257833 4.970285327 6.188408866 8.353835785 7.751571251 5.574113843 5.596136877 10.23518577 7.764714232 5.280786786 5.084497444 6.05873743 5.549876139 5.549714956 7.772185579 42.43078009 38.50146904 30.46325585 30.38913589 63.48984511 63.97212772 30.44263216 30.67594559 59.57281021 28.82985201 30.13708858 28.92219698 29.63207135 30.58896396 29.78533606 hexane -1.367 11.04062867 7.843276481 11.0755681 13.68464407 7.579737585 8.889656709 11.74960468 11.29918501 7.937566991 8.013472401 14.75487947 11.26813396 7.983749416 7.723277325 8.770002526 7.966362333 8.032148205 11.17973014 101.8417478 96.0066561 60.664264 60.24895491 105.2896806 117.8668118 61.82739067 61.76171407 123.248034 57.88198521 59.8239922 58.22782487 61.44774949 59.84281354 59.10415226 decane -1.149 10.11180257 7.056302094 10.14624495 12.7996552 6.799423047 8.153675689 10.80167346 10.36939344 7.079818681 7.162792897 13.88369959 10.49864507 7.3591115 7.095804251 8.109448842 7.224434466 7.333168676 10.44040383 84.07007422 78.90696494 47.80026656 47.3724038 83.89581631 96.82182847 48.92880633 48.82263673 103.0694284 45.23618713 49.01265758 48.28614957 50.81633071 48.77398454 47.11283821 chloroform -0.796 6.881540095 6.243770639 8.219810096 22.40498773 7.557875365 21.86604536 7.420218933 6.94491445 6.52763283 6.53979002 9.814006504 9.237940434 6.238473242 7.575950861 22.01969641 6.724446204 6.539823695 9.503411435 38.86651719 65.17929032 27.71282544 55.30665443 77.84408172 68.17092307 36.66912015 38.63388655 34.51951956 27.38583409 28.59337851 54.84015438 37.28349344 42.05528706 32.32356495 carbon tetrachloride -0.495 5.392078177 6.043972538 5.415341162 7.752315233 5.76669145 6.868182119 6.351340293 5.869246859 6.582492609 6.678668966 9.231320634 9.555298454 6.056315365 5.852153585 7.060723562 6.764926597 6.731170154 9.83695973 17.95764492 15.94279222 42.53943968 42.69963442 31.68327458 35.48336885 42.64094783 43.33998505 27.78998943 34.48346828 42.52208025 38.43110577 41.84731689 43.88100474 40.5854072 benzonitrile -0.387 8.120583327 6.194472582 8.114067003 8.875103659 6.101850644 7.244551353 8.726851851 8.261082826 6.898010975 7.030770503 10.20310022 8.910169551 6.571098581 6.347181317 7.401092386 7.15225495 7.176145172 9.041107502 43.74772761 44.98486169 45.46970418 47.37380029 71.25477762 69.86705686 48.38702307 48.03215675 67.89136076 47.62089972 51.68790309 51.73311339 51.59544826 49.86827209 50.04622592 fluorobenzene -0.229 5.826429218 4.475407527 6.16378658 8.013708167 4.596761766 5.519342754 6.783402901 6.121563311 5.10022301 5.16083778 8.482133772 7.110170359 4.50726584 4.599449831 5.537815814 5.088118555 5.036706806 7.119688632 20.71542764 18.58839477 25.75751236 26.2778402 44.3678787 43.29326359 26.00451426 26.30368477 37.78897809 24.96570575 25.59734941 23.70450156 24.80438593 25.87491615 26.61240734 nitrobenzene -0.097 7.079022639 5.422377854 7.006770577 7.829355922 5.286318727 6.375833981 7.343036354 6.872530175 5.741018645 5.840617558 8.304901244 7.237972878 5.636998061 5.442828428 6.558100328 5.934474912 5.923562631 7.388623723 26.87537319 27.94381696 31.14584035 32.74715532 50.43747872 51.04783022 33.38455272 32.98324193 46.97949281 33.69665161 35.24073059 34.59915794 35.06023047 34.07298615 37.11984006 pyridine -0.051 7.800397937 6.242149063 7.649142387 10.42162097 6.086698894 9.2592766 7.741682238 6.760217651 6.196968051 5.885329094 11.5812781 10.95803949 6.386404736 6.229344102 9.443818363 6.293938862 5.859177641 11.1354746 24.80189978 27.49138249 28.00547188 30.32348392 37.93756891 38.03415146 32.42770289 29.91139304 44.23455775 30.22259924 32.04135911 32.44245903 33.93581967 30.05530979 33.10254575 trans-decahydronaphthalene 0.114 7.517812297 5.673071685 7.59349453 9.89985863 5.529334048 6.247042791 8.373658266 7.886151449 5.95688999 5.939584485 10.40170607 8.237139391 5.777349871 5.668737455 6.112755166 5.933731084 5.927745362 8.256217895 46.83366826 41.44714537 34.45506727 33.758615 56.63439725 62.85160601 34.54099993 34.68714586 60.08360184 32.72675496 33.59979367 32.27429646 34.1896342 34.25193457 34.18730695 trichloroethylene 0.146 6.644839966 5.857337966 6.655079672 8.423489136 5.587451282 6.875110451 7.55394648 7.158492823 6.583827902 6.875451858 10.16436825 9.489263119 5.97067529 5.686509349 7.037428752 6.798920072 6.976102069 9.652266902 26.51288369 24.12830328 42.95181787 43.59206457 56.34889282 55.15209456 43.34645129 44.46327165 41.00579101 31.95766018 44.83928506 40.99423485 43.151669 45.59509666 35.26359088 mesitylene 0.176 5.128649187 3.500155473 5.220130208 7.584489033 3.417730825 4.729392822 6.051929036 5.457941018 4.039522359 4.158163532 8.038428005 6.510297201 3.764760922 3.693009015 4.652503377 4.082961113 4.345233298 6.565405886 15.90810387 13.86703702 15.10099147 15.14881626 33.9586321 26.64436393 15.14614276 15.64694884 28.55778989 14.07454741 16.21403997 15.949404 15.60359135 16.05101713 15.01828305 benzene 0.23 5.076290288 3.72546519 5.314377672 6.316596195 3.97392442 3.723847876 5.321503136 4.807985788 3.574563351 3.850575562 7.623726601 6.637648487 3.73982509 4.046939658 3.693381037 3.65133976 3.9759495 6.740827567 9.360530914 7.664368166 12.30726989 12.45656115 22.69451947 19.57002135 12.09765255 13.07731329 21.71311239 11.76741152 12.85920897 11.98615945 12.17475747 12.47677195 12.88148431 cis-decahydronaphthalene 0.342 7.517812297 5.673071685 7.59349453 9.89985863 5.529334048 6.247042791 8.373658266 7.886151449 5.95688999 5.939584485 10.40170607 8.237139391 5.777349871 5.668737455 6.112755166 5.933731084 5.927745362 8.256217895 46.83366826 41.44714537 34.45506727 33.758615 56.63439725 62.85160601 34.54099993 34.68714586 60.08360184 32.72675496 33.59979367 32.27429646 34.1896342 34.25193457 34.18730695 toluene 0.447 5.144770072 3.996657367 5.168697208 7.237627036 3.842733295 4.590718708 5.946120416 5.254895962 4.375348343 4.322825405 7.774964923 6.598346118 4.036067271 3.936697742 4.467678155 4.30783252 4.252190024 6.620204137 15.600648 13.35685048 18.29655609 18.24844814 32.84997863 31.89456003 18.3721849 18.34384818 27.60468269 17.08569513 18.0523229 17.18346302 17.78413205 18.38891652 17.83922102 bromobenzene 0.519 4.764981259 4.3975818 4.726566534 6.052154921 4.267548514 5.303061884 4.816383127 4.285284441 4.456504264 4.530145912 6.051427811 6.250028951 4.39798025 4.356566475 5.598530296 4.6549585 4.573755755 6.559368847 6.178919467 6.640390069 19.43539545 20.28843267 22.8561265 22.43630091 19.97584252 20.2309489 18.1489597 19.23958338 20.89594867 18.61017248 19.97222081 21.08698412 24.30257913 o-xylene 0.716 5.246013906 3.725184231 5.310098481 7.736964327 3.582379452 4.911538745 6.171061555 5.559380995 4.231699614 4.257419832 7.92374927 6.276911 3.881782828 3.759633104 4.79619872 4.217964325 4.307484949 6.265052412 17.39951004 15.27662864 17.07994388 17.08224215 34.6583764 32.42227794 17.0983246 17.3593146 30.22817618 15.91610364 17.4016519 16.85921208 16.92173621 17.54126029 16.65796586 1,1,2,2-tetrachloroethane 0.724 6.716294443 5.679890457 7.399554979 9.097294373 6.279273583 7.381194257 7.428584401 6.932446793 6.191385647 6.324812834 11.79831782 11.05740211 5.681984533 6.269671939 7.445141659 6.320046905 6.293857 11.17647588 35.84798286 20.61656369 30.54814029 37.50558969 56.7147766 58.63092961 38.27813271 38.66974023 28.37669999 12.69796608 31.17146015 34.09493946 37.59423606 39.62442931 12.98313471 anisole 0.748 6.19354262 4.676069551 6.339163974 14.83362523 4.807461283 13.7738789 6.238550462 5.497710004 4.41328991 4.379875159 8.97643347 7.99736569 4.76987737 4.93299529 13.9081571 4.476252873 4.404984391 8.116689017 14.68159233 10.91640113 18.13105904 18.11652504 36.48843735 35.52189236 18.96370955 18.71675752 30.64668357 17.87892546 19.87565784 18.08255651 19.14229412 19.50471067 19.33947941 2-methylthiophene 0.833 6.100955207 5.171592134 6.182914203 8.430151615 5.256787545 6.806242704 5.504981506 5.014981123 4.130995176 4.170373964 7.137029339 6.264747762 5.077368812 5.272238734 6.886952205 4.064335781 4.110606541 6.330957201 10.59503996 10.03209709 16.07997777 16.84144024 28.94530324 32.19974322 16.4623063 16.21925547 22.76370324 15.21904056 16.09326905 15.29525789 15.77313495 16.20820013 16.43275963 chlorobenzene 0.845 4.135374304 3.360956956 4.068791337 5.750771501 3.130926903 3.943618913 4.726686034 4.096210849 3.696445179 3.756812723 6.614836578 5.965055162 3.304370428 3.128095561 3.87043405 3.680480896 3.664849325 5.962221677 5.707868046 4.420246505 13.4289522 13.53772094 20.24897284 20.57220988 13.58035133 13.84483162 16.92327901 12.87438521 13.32398568 11.89223547 12.77747564 13.52631171 14.25518425 1,2,4-trichlorobenzene 0.929 4.348533362 3.082868048 4.230772662 5.171128904 2.861824792 4.100303673 4.652193793 4.329759426 3.522620413 3.772428413 7.700629862 7.143528994 3.199209815 2.968160484 4.213517524 3.775936597 3.975913606 7.149833895 7.108264619 7.823079253 11.90768956 12.56052316 20.57468034 20.70346603 11.91519663 12.89195902 16.4212982 9.989151112 13.74217496 12.66257889 12.47965968 13.72162254 11.86151902 1,2,3,4-tetrahydronaphthalene 1.204 4.40311673 3.569517072 4.431827891 7.121673981 3.406195085 4.790708407 5.300914114 4.73264821 3.922100903 3.888678395 7.314196413 6.295802204 3.667020537 3.545539598 4.637412349 3.859604951 3.897049009 6.324447808 12.59173408 10.92870273 14.74500586 14.56132171 22.49273557 24.09089726 14.56908022 14.73188577 21.63005332 13.44000485 14.38416623 14.11544878 14.18283453 14.67617316 13.97546523 o-dichlorobenzene 1.431 3.927595091 2.873604869 3.866230356 5.39726809 2.639282658 3.935078155 4.57194788 4.07856503 3.47497401 3.630044524 8.014817298 7.385784571 2.917073986 2.686015255 3.95956505 3.626869082 3.707051092 7.351134023 4.750182776 4.522729234 11.56034396 11.96810909 17.26713698 19.3133702 11.56369692 12.3237899 15.18799392 9.994556054 12.39082055 11.1247972 11.473282 12.51626874 11.53313439 1-methylnaphthalene 1.519 3.05414615 2.551265421 3.067382873 4.059415864 2.590376479 2.253002055 3.275078871 2.630323332 2.438125578 2.220404566 4.994560599 4.831711239 2.775956467 2.85965059 2.233467867 2.46849398 2.303676875 4.893169877 0.731913632 0.277646734 4.90792091 4.827230597 8.705379038 8.842000687 5.13073243 5.095798184 6.335781552 4.349274327 6.11324415 6.192624699 6.087898458 5.619435102 4.883730611 1,5-dimethylnaphthalene 1.556 3.752373016 3.958961641 3.922506365 5.050014984 4.094065825 3.203569071 4.127676995 3.419961899 3.829358426 3.473658636 5.858619812 5.685675339 3.988446167 4.229160783 3.114968889 3.694650236 3.40567752 5.657611448 7.481796546 5.440503301 12.97361969 12.32372639 15.16109546 14.22291607 12.69444753 12.53804187 11.01704211 11.36736778 12.59339932 12.22394084 12.80917147 12.57719598 11.55529927 1-phenylnaphthalene 1.699 2.11858662 2.031235063 2.127175949 3.120938573 2.142032408 1.621631301 2.521884036 1.778130923 2.106576621 1.556100381 5.582690409 5.886618499 2.414193445 2.541976988 1.656777567 2.139532789 1.79014631 6.010167552 0.03199999 0.152722559 2.571331199 2.387858012 4.192130802 3.323612394 2.811437554 2.673483407 2.352502715 2.03819514 4.022738576 4.665055853 4.247517606 3.392031896 2.490252252 1-chloronaphthalene 1.708 3.242546711 2.398589144 3.125403096 3.409459366 2.342016282 2.131882221 2.984186683 2.605899053 2.038618472 2.048594237 3.935585908 3.833039871 2.496898853 2.488867102 2.138358266 2.093871772 2.091902845 3.844566762 1.179195361 1.693476428 3.710579773 3.862720076 7.430737914 7.987516389 3.994889272 4.159225163 6.303557211 3.631984727 4.775011248 4.663807816 4.547298804 4.237368503 4.328749381
Graph