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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
222619 BDB-kin245469.mol2, BDB-kin245469.pdbqt 434,69 161,24 -5,554 575,624 2,0531 13 3 2 2,2213 0,407426288405075
222620 BDB-kin245470.mol2, BDB-kin245470.pdbqt 423,44 157,43 -6,613 569,637 2,6128 12 2 2 -0,15781 0,265647319645392
222621 BDB-kin245471.mol2, BDB-kin245471.pdbqt 370,3 117,71 -6,073 476,535 2,9412 10 3 0 0,9587 8,64539740595641E-02
222622 BDB-kin245472.mol2, BDB-kin245472.pdbqt 434,9 169,46 -7,283 584,652 2,6595 13 3 2 -1,3268 7,19782421017572E-02
222623 BDB-kin245473.mol2, BDB-kin245473.pdbqt 424,07 144,01 -6,538 548,598 3,3145 12 3 2 -1,3906 4,77108067128583E-02
222624 BDB-kin245474.mol2, BDB-kin245474.pdbqt 363,69 143,01 -7,66 512,977 3,5238 10 3 1 -6,7503 0,176693663387632
222625 BDB-kin245475.mol2, BDB-kin245475.pdbqt 374,86 159,23 -7,348 514,629 2,4271 10 3 1 2,4542 0,13200246900947
222626 BDB-kin245476.mol2, BDB-kin245476.pdbqt 394,74 134,22 -6,66 538,602 2,582 10 2 1 1,8191 0,129090833222753
222627 BDB-kin245477.mol2, BDB-kin245477.pdbqt 364,03 133,78 -6,603 478,575 3,0821 9 3 0 2,4833 8,87327387024808E-02
222628 BDB-kin245478.mol2, BDB-kin245478.pdbqt 394,66 118,15 -5,141 518,572 2,5055 11 2 2 3,2824 0,49961322853817
222629 BDB-kin245479.mol2, BDB-kin245479.pdbqt 347,69 131,7 -5,834 466,472 2,0193 10 3 0 0,96761 0,438313465267363
222630 BDB-kin245480.mol2, BDB-kin245480.pdbqt 378,82 147,2 -7,177 534,06 3,0838 9 2 1 3,4626 0,355222832895511
222631 BDB-kin245481.mol2, BDB-kin245481.pdbqt 318,38 131,56 -5,821 422,512 2,0675 8 2 0 2,2162 0,311641756688787
222632 BDB-kin245482.mol2, BDB-kin245482.pdbqt 446,91 147,11 -7,329 597,698 3,2305 11 2 2 3,1591 0,110045999286072
222633 BDB-kin245483.mol2, BDB-kin245483.pdbqt 407,35 160,66 -7,333 541,634 3,215 10 3 1 2,4115 0,333614223380276
222634 BDB-kin245484.mol2, BDB-kin245484.pdbqt 381,13 143,16 -6,818 512,589 2,2862 11 3 2 1,019 0,126055538800037
222635 BDB-kin245485.mol2, BDB-kin245485.pdbqt 393,62 145,2 -5,089 536,611 1,5096 11 2 2 3,2726 0,179051910892715
222636 BDB-kin245486.mol2, BDB-kin245486.pdbqt 363,4 147,2 -6,678 499,615 2,3804 9 2 0 3,4004 0,412828096068157
222637 BDB-kin245487.mol2, BDB-kin245487.pdbqt 387,25 118,15 -5,83 522,535 2,0348 11 2 2 1,7233 0,151569858119579
222638 BDB-kin245488.mol2, BDB-kin245488.pdbqt 387,25 118,15 -5,83 522,535 2,0348 11 2 2 1,7233 0,151569858119579
These data are only available for scientific research purposes.