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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115653 BDB-kin115834.mol2, BDB-kin115834.pdbqt 375,23 88,24 -4,471 487,005 4,4367 7 1 0 3,0923 0,501974942758747
115654 BDB-kin115835.mol2, BDB-kin115835.pdbqt 402,25 88,24 -4,547 503,048 5,2221 7 1 2 3,4228 0,426972888286183
115655 BDB-kin115836.mol2, BDB-kin115836.pdbqt 372,67 94,23 -4,329 463,967 4,1905 7 1 0 0,97612 0,487340617574577
115656 BDB-kin115837.mol2, BDB-kin115837.pdbqt 412,75 97,47 -4,392 531,058 4,2987 8 1 1 -0,71148 0,321516866867409
115657 BDB-kin115838.mol2, BDB-kin115838.pdbqt 417,57 130,76 -4,251 565,096 3,2707 9 1 1 -1,4098 0,305056273968673
115658 BDB-kin115839.mol2, BDB-kin115839.pdbqt 347,81 103,02 -4,421 435,914 3,4696 7 2 0 -3,7668 0,321648103861776
115659 BDB-kin115840.mol2, BDB-kin115840.pdbqt 343 105,23 -3,931 435,914 3,3082 7 2 0 0,097054 0,515960300713068
115660 BDB-kin115841.mol2, BDB-kin115841.pdbqt 358,91 94,23 -4,059 449,941 3,7361 7 1 0 0,71065 0,525796977512329
115661 BDB-kin115842.mol2, BDB-kin115842.pdbqt 382,58 108,47 -3,5 490,993 3,3866 8 2 0 4,2427 0,63171977959189
115662 BDB-kin115843.mol2, BDB-kin115843.pdbqt 407,23 101,13 -5,282 524,026 4,7527 8 1 1 2,7714 0,386950671817092
115663 BDB-kin115844.mol2, BDB-kin115844.pdbqt 402,75 88,24 -5,011 515,059 5,1207 7 1 2 0,31333 0,315733991272785
115664 BDB-kin115845.mol2, BDB-kin115845.pdbqt 408,47 88,24 -5,552 523,038 5,4022 7 1 2 2,7714 0,33212308595992
115665 BDB-kin115846.mol2, BDB-kin115846.pdbqt 378,17 88,24 -4,712 514,938 5,076 7 1 2 -3,0186 0,177245730583763
115666 BDB-kin115847.mol2, BDB-kin115847.pdbqt 387,67 88,24 -4,478 510,975 4,0811 7 1 1 0,61033 0,42177186485601
115667 BDB-kin115848.mol2, BDB-kin115848.pdbqt 385,73 88,24 -4,385 489,021 4,6726 7 1 0 3,1632 0,489472352802716
115668 BDB-kin115849.mol2, BDB-kin115849.pdbqt 395,9 88,24 -4,494 503,048 5,0532 7 1 2 1,9453 0,421771182477989
115669 BDB-kin115850.mol2, BDB-kin115850.pdbqt 353,86 114,1 -4,051 460,924 3,0879 8 2 0 0,96793 0,560652606329987
115670 BDB-kin115851.mol2, BDB-kin115851.pdbqt 374,73 88,24 -4,007 474,994 4,3133 7 1 0 4,42 0,563498141159584
115671 BDB-kin115852.mol2, BDB-kin115852.pdbqt 378,72 105,31 -3,989 488,978 3,9637 8 1 0 2,9909 0,563480897631442
115672 BDB-kin115853.mol2, BDB-kin115853.pdbqt 394,51 97,47 -3,76 506,555 3,4051 8 1 1 0,49515 0,487762392503493
These data are only available for scientific research purposes.