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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115713 BDB-kin115916.mol2, BDB-kin115916.pdbqt 394,24 130,76 -4,219 522,603 3,5174 9 1 1 -0,44095 0,381234998328482
115714 BDB-kin115917.mol2, BDB-kin115917.pdbqt 369,65 105,31 -3,567 472,523 3,4585 8 1 0 1,6345 0,59848916893179
115715 BDB-kin115918.mol2, BDB-kin115918.pdbqt 373,51 108,47 -3,078 474,538 2,8814 8 2 0 2,8863 0,679601090504246
115716 BDB-kin115919.mol2, BDB-kin115919.pdbqt 398,16 101,13 -4,86 507,571 4,2475 8 1 1 1,4254 0,429973121325081
115717 BDB-kin115920.mol2, BDB-kin115920.pdbqt 398,16 101,13 -4,335 507,571 3,8961 8 1 1 1,4254 0,484845362040436
115718 BDB-kin115921.mol2, BDB-kin115921.pdbqt 421,2 88,24 -4,911 526,658 5,1522 7 1 2 -2,3374 0,215018901421097
115719 BDB-kin115922.mol2, BDB-kin115922.pdbqt 389,42 97,47 -3,206 488,565 3,3093 8 1 0 2,105 0,6213008906174
115720 BDB-kin115923.mol2, BDB-kin115923.pdbqt 393,68 88,24 -4,589 498,604 4,6155 7 1 0 -1,0425 0,302699870079126
115721 BDB-kin115924.mol2, BDB-kin115924.pdbqt 413,16 88,24 -4,608 520,61 4,8199 7 1 1 2,3107 0,423550942320541
115722 BDB-kin115925.mol2, BDB-kin115925.pdbqt 399,4 88,24 -5,13 506,583 4,897 7 1 1 1,4254 0,374152640213126
115723 BDB-kin115926.mol2, BDB-kin115926.pdbqt 401,98 91,48 -2,708 501,608 3,1016 8 1 1 4,1607 0,661691828034088
115724 BDB-kin115927.mol2, BDB-kin115927.pdbqt 376,66 88,24 -3,903 472,566 3,8245 7 1 0 0,98688 0,527381793422415
115725 BDB-kin115928.mol2, BDB-kin115928.pdbqt 353,1 94,23 -4,053 445,497 3,6344 7 1 0 -5,1677 0,322123499938989
115726 BDB-kin115929.mol2, BDB-kin115929.pdbqt 394,68 108,47 -3,505 502,592 3,1958 8 2 1 3,1015 0,616323147792715
115727 BDB-kin115930.mol2, BDB-kin115930.pdbqt 375,71 105,23 -4,595 473,55 4,2534 7 2 0 -3,2151 0,275182481138584
115728 BDB-kin115931.mol2, BDB-kin115931.pdbqt 352,06 121,28 -3,386 463,536 2,3598 7 1 0 -3,6765 0,365076998438654
115729 BDB-kin115932.mol2, BDB-kin115932.pdbqt 379,92 88,24 -4,101 484,577 4,1262 7 1 0 3,5657 0,556148865351058
115730 BDB-kin115933.mol2, BDB-kin115933.pdbqt 361,9 97,47 -3,429 460,511 2,6919 8 1 0 0,53386 0,574883714710112
115731 BDB-kin115934.mol2, BDB-kin115934.pdbqt 404,68 88,24 -4,749 512,631 4,8848 7 1 1 0,06868 0,331171654986875
115732 BDB-kin115935.mol2, BDB-kin115935.pdbqt 348,19 105,23 -4,273 445,497 3,6043 7 2 0 -1,105 0,390270476879209
These data are only available for scientific research purposes.