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Records 1781 to 1800 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
174505 BDB-kin174675.mol2, BDB-kin174675.pdbqt 394,08 84,87 -6,271 506,649 3,2058 9 1 1 3,5558 0,413112611831406
174506 BDB-kin174676.mol2, BDB-kin174676.pdbqt 411,1 84,87 -6,897 532,687 3,6539 9 1 1 -0,49891 0,244978372820737
174507 BDB-kin174677.mol2, BDB-kin174677.pdbqt 424,86 84,87 -7,167 546,713 3,9959 9 1 1 -3,2283 0,168945525774724
174508 BDB-kin174678.mol2, BDB-kin174678.pdbqt 426,52 113,11 -6,926 560,721 3,7249 9 1 1 3,5036 0,327875844443283
174509 BDB-kin174679.mol2, BDB-kin174679.pdbqt 421,1 94,1 -6,278 548,686 2,8319 10 1 1 0,37465 0,312337441257441
174510 BDB-kin174680.mol2, BDB-kin174680.pdbqt 446,58 84,87 -7,6 570,735 3,9148 9 1 1 -2,5533 0,162719589989067
174511 BDB-kin174681.mol2, BDB-kin174681.pdbqt 431,77 84,87 -6,77 548,729 4,5394 9 1 1 -1,4971 0,18550229494934
174512 BDB-kin174682.mol2, BDB-kin174682.pdbqt 421,6 84,87 -6,593 534,702 3,9736 9 1 1 1,5983 0,324691053437196
174513 BDB-kin174683.mol2, BDB-kin174683.pdbqt 432,6 84,87 -6,971 548,729 4,3329 9 1 1 2,6488 0,244733996813583
174514 BDB-kin174684.mol2, BDB-kin174684.pdbqt 460,68 88,11 -5,886 577,771 3,407 10 1 1 4,8665 0,226628740050003
174515 BDB-kin174685.mol2, BDB-kin174685.pdbqt 435,86 84,87 -7,327 560,74 4,2652 9 1 1 -2,4862 0,13022896797252
174516 BDB-kin174686.mol2, BDB-kin174686.pdbqt 397,34 84,87 -6,409 518,66 3,1646 9 1 1 3,3202 0,395237888147979
174517 BDB-kin174687.mol2, BDB-kin174687.pdbqt 410,6 84,87 -6,433 520,676 3,7553 9 1 1 -0,035 0,227200404507163
174518 BDB-kin174688.mol2, BDB-kin174688.pdbqt 407,84 84,87 -6,323 520,676 3,5192 9 1 1 0,33943 0,312750996722299
174519 BDB-kin174689.mol2, BDB-kin174689.pdbqt 390,93 105,1 -5,386 508,621 1,9198 10 2 1 1,7491 0,468802135873721
174520 BDB-kin174690.mol2, BDB-kin174690.pdbqt 406,84 94,1 -5,514 522,648 2,3477 10 1 1 1,5363 0,433803902571844
174521 BDB-kin174691.mol2, BDB-kin174691.pdbqt 435,86 84,87 -7,327 560,74 4,2652 9 1 1 1,2381 0,268364670207766
174522 BDB-kin174692.mol2, BDB-kin174692.pdbqt 466,6 94,1 -7,046 598,745 4,2184 10 1 1 1,7317 0,268080639382169
174523 BDB-kin174693.mol2, BDB-kin174693.pdbqt 432,67 113,55 -5,867 558,685 2,5026 11 2 2 2,731 0,402085448411933
174524 BDB-kin174694.mol2, BDB-kin174694.pdbqt 452,38 84,87 -7,707 574,767 5,4094 9 1 2 -3,02 0,125396282773543
These data are only available for scientific research purposes.