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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115693 BDB-kin115882.mol2, BDB-kin115882.pdbqt 306,41 105,23 -3,856 391,405 2,6258 7 2 0 -4,3366 0,228468246717078
115694 BDB-kin115894.mol2, BDB-kin115894.pdbqt 382,86 88,24 -4,325 512,51 4,2924 7 1 1 -3,5393 0,260944348681352
115695 BDB-kin115896.mol2, BDB-kin115896.pdbqt 407,44 88,24 -4,859 512,631 4,9575 7 1 1 -2,2752 0,231685184135615
115696 BDB-kin115899.mol2, BDB-kin115899.pdbqt 348,19 105,23 -4,273 445,497 3,6043 7 2 0 -1,2883 0,38006262320784
115697 BDB-kin115900.mol2, BDB-kin115900.pdbqt 390,42 88,24 -3,955 486,593 4,0192 7 1 0 0,1057 0,44153927296716
115698 BDB-kin115901.mol2, BDB-kin115901.pdbqt 379,32 97,03 -4,317 472,566 3,7527 7 2 0 -0,081667 0,432530187268684
115699 BDB-kin115902.mol2, BDB-kin115902.pdbqt 365,56 97,03 -4,047 458,539 3,4107 7 2 0 0,82093 0,541326204277622
115700 BDB-kin115903.mol2, BDB-kin115903.pdbqt 390,42 88,24 -3,955 486,593 4,0192 7 1 0 2,0685 0,546081770595818
115701 BDB-kin115904.mol2, BDB-kin115904.pdbqt 379,32 97,03 -4,317 472,566 3,7527 7 2 0 1,8925 0,546376936930474
115702 BDB-kin115905.mol2, BDB-kin115905.pdbqt 430 91,48 -3,772 541,673 4,3092 8 1 1 3,0822 0,497642837367749
115703 BDB-kin115906.mol2, BDB-kin115906.pdbqt 383,12 105,23 -4,812 487,577 4,5389 7 2 0 -2,309 0,261425817897208
115704 BDB-kin115907.mol2, BDB-kin115907.pdbqt 385,88 105,23 -4,892 487,577 4,3628 7 2 0 -2,4296 0,262308251250361
115705 BDB-kin115908.mol2, BDB-kin115908.pdbqt 355,1 105,23 -3,996 447,512 3,5429 7 2 0 -2,15 0,357732216109302
115706 BDB-kin115909.mol2, BDB-kin115909.pdbqt 381,91 105,31 -3,935 486,549 3,8564 8 1 0 1,6345 0,542119324764785
115707 BDB-kin115910.mol2, BDB-kin115910.pdbqt 393,18 88,24 -4,125 486,593 4,7169 7 1 0 2,0805 0,487054677399912
115708 BDB-kin115911.mol2, BDB-kin115911.pdbqt 403,68 97,47 -3,97 514,603 3,7935 8 1 1 -2,0887 0,310603387414648
115709 BDB-kin115912.mol2, BDB-kin115912.pdbqt 405,97 108,55 -2,69 515,591 2,752 9 1 1 3,6452 0,652324078201778
115710 BDB-kin115913.mol2, BDB-kin115913.pdbqt 408,5 130,76 -3,829 548,641 2,7655 9 1 1 -2,9243 0,299389003115999
115711 BDB-kin115914.mol2, BDB-kin115914.pdbqt 379,92 88,24 -4,319 484,577 4,2735 7 1 0 -3,0702 0,281114944583201
115712 BDB-kin115915.mol2, BDB-kin115915.pdbqt 403,68 97,47 -3,97 514,603 3,7016 8 1 1 0,5143 0,458941259888886
These data are only available for scientific research purposes.