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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
116000 BDB-kin116156.mol2, BDB-kin116156.pdbqt 369,65 102,82 -2,966 485,497 3,519 8 1 0 -1,5832 0,386043980786841
116001 BDB-kin116157.mol2, BDB-kin116157.pdbqt 368,41 115,71 -3,101 486,485 3,1287 9 1 0 -0,44476 0,467280148589656
116002 BDB-kin116158.mol2, BDB-kin116158.pdbqt 381,91 102,82 -3,334 499,524 3,9169 8 1 0 -0,066804 0,447704586818016
116003 BDB-kin116159.mol2, BDB-kin116159.pdbqt 370,12 94,23 -4,79 489,524 4,0428 7 1 0 -0,31333 0,364006552776336
116004 BDB-kin116160.mol2, BDB-kin116160.pdbqt 425,81 142,79 -4,138 569,635 2,8726 10 2 1 2,2926 0,50094548095879
116005 BDB-kin116161.mol2, BDB-kin116161.pdbqt 386,27 88,24 -4,633 502,567 4,3743 7 1 1 0,68908 0,40815846983467
116006 BDB-kin116162.mol2, BDB-kin116162.pdbqt 437,18 130,76 -4,409 585,102 3,545 9 1 1 -0,54096 0,321832640888321
116007 BDB-kin116163.mol2, BDB-kin116163.pdbqt 378,72 102,82 -3,388 501,952 4,0242 8 1 1 -1,5358 0,347967372493473
116008 BDB-kin116164.mol2, BDB-kin116164.pdbqt 377,48 115,71 -3,523 502,94 3,6339 9 1 1 -0,4113 0,424871189606279
116009 BDB-kin116165.mol2, BDB-kin116165.pdbqt 390,98 102,82 -3,756 515,979 4,4221 8 1 1 -0,025912 0,395026165766719
116010 BDB-kin116166.mol2, BDB-kin116166.pdbqt 379,19 94,23 -5,212 505,98 4,548 7 1 1 -0,27899 0,308994930254928
116011 BDB-kin116167.mol2, BDB-kin116167.pdbqt 434,88 142,79 -4,56 586,09 3,3778 10 2 1 2,3093 0,444707938114455
116012 BDB-kin116168.mol2, BDB-kin116168.pdbqt 395,34 88,24 -5,055 519,022 4,8795 7 1 1 0,70398 0,342361263244422
116013 BDB-kin116169.mol2, BDB-kin116169.pdbqt 371,58 97,03 -4,654 488,54 3,8993 7 2 0 1,0775 0,464717162756158
116014 BDB-kin116170.mol2, BDB-kin116170.pdbqt 380,65 97,03 -5,076 504,995 4,4045 7 2 1 1,09 0,395251325082428
116015 BDB-kin116171.mol2, BDB-kin116171.pdbqt 398,08 124,94 -2,083 512,548 2,748 10 1 1 -1,0929 0,424455304225163
116016 BDB-kin116172.mol2, BDB-kin116172.pdbqt 363,77 94,23 -4,476 471,534 3,942 7 1 0 -0,31333 0,399564325904035
116017 BDB-kin116173.mol2, BDB-kin116173.pdbqt 377,21 88,24 -3,909 468,535 3,429 7 1 0 2,2999 0,607564496667997
116018 BDB-kin116174.mol2, BDB-kin116174.pdbqt 352,45 85 -5,12 465,478 4,5956 6 1 0 -7,7257 0,235582158826647
116019 BDB-kin116175.mol2, BDB-kin116175.pdbqt 379,78 109,06 -3,432 473,554 2,5822 8 3 0 -1,3827 0,332199112117713
These data are only available for scientific research purposes.