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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115920 BDB-kin116076.mol2, BDB-kin116076.pdbqt 394,23 115,49 -3,272 486,574 2,5549 9 2 0 -0,21115 0,494727634901204
115921 BDB-kin116077.mol2, BDB-kin116077.pdbqt 399,32 114,54 -3,511 498,585 3,0772 9 1 0 1,2573 0,568559997164682
115922 BDB-kin116078.mol2, BDB-kin116078.pdbqt 392,24 97,47 -3,682 496,613 3,8806 8 1 0 2,6712 0,573093252254495
115923 BDB-kin116079.mol2, BDB-kin116079.pdbqt 437,11 97,47 -4,615 538,694 4,9814 8 1 1 -1,0735 0,26085622322586
115924 BDB-kin116080.mol2, BDB-kin116080.pdbqt 409,59 97,47 -4,293 510,64 4,4447 8 1 1 0,2327 0,390345187291793
115925 BDB-kin116081.mol2, BDB-kin116081.pdbqt 429,07 97,47 -4,312 532,646 4,6491 8 1 1 3,5352 0,457031790550609
115926 BDB-kin116082.mol2, BDB-kin116082.pdbqt 425,31 91,48 -3,894 544,101 4,4081 8 1 1 4,9295 0,491497556917018
115927 BDB-kin116083.mol2, BDB-kin116083.pdbqt 412,75 97,47 -4,392 531,058 4,2987 8 1 1 0,016775 0,363825965928193
115928 BDB-kin116084.mol2, BDB-kin116084.pdbqt 348,41 94,23 -4,205 447,925 3,7976 7 1 0 -1,1627 0,381784298181782
115929 BDB-kin116085.mol2, BDB-kin116085.pdbqt 339,74 114,46 -4,299 449,897 2,8625 8 2 0 -0,052304 0,29008865735305
115930 BDB-kin116086.mol2, BDB-kin116086.pdbqt 334,65 94,23 -4,698 433,898 3,7146 7 1 0 -2,0888 0,197441373204876
115931 BDB-kin116087.mol2, BDB-kin116087.pdbqt 385,73 88,24 -4,325 489,021 4,3297 7 1 0 1,005 0,458417424547683
115932 BDB-kin116088.mol2, BDB-kin116088.pdbqt 413,75 88,24 -5,171 529,086 5,39 7 1 2 1,4476 0,327073991996633
115933 BDB-kin116089.mol2, BDB-kin116089.pdbqt 371,97 88,24 -4,055 474,994 3,9877 7 1 0 1,904 0,548788849328549
115934 BDB-kin116090.mol2, BDB-kin116090.pdbqt 371,97 88,24 -4,055 474,994 3,9877 7 1 0 1,904 0,548788849328549
115935 BDB-kin116091.mol2, BDB-kin116091.pdbqt 331,39 94,23 -4,282 421,887 3,3343 7 1 0 -2,192 0,21832811802618
115936 BDB-kin116092.mol2, BDB-kin116092.pdbqt 377,99 127,52 -4,682 510,017 3,1923 8 1 1 -5,1622 0,271203961292838
115937 BDB-kin116093.mol2, BDB-kin116093.pdbqt 403,31 130,76 -4,641 539,058 4,0226 9 1 1 1,0719 0,414333237116233
115938 BDB-kin116094.mol2, BDB-kin116094.pdbqt 402,48 114,54 -4,604 519,003 4,5732 9 1 1 -3,478 0,238253054984461
115939 BDB-kin116095.mol2, BDB-kin116095.pdbqt 416,51 88,24 -5,281 529,086 5,4627 7 1 2 -0,91982 0,225104406096596
These data are only available for scientific research purposes.