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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
32362 BDB-kin111710.mol2, BDB-kin111710.pdbqt 289,38 105,51 -4,648 366,42 2,4867 7 2 0 -1,8568 0,397177104871468
35572 BDB-kin111711.mol2, BDB-kin111711.pdbqt 357,91 92,43 -4,159 471,563 2,2826 9 1 0 7,2546 0,651810463703698
35573 BDB-kin111712.mol2, BDB-kin111712.pdbqt 393,03 101,3 -4,797 512,616 2,332 10 1 1 7,7696 0,548316713209483
35574 BDB-kin111713.mol2, BDB-kin111713.pdbqt 394,27 88,41 -5,592 511,628 3,3329 9 1 1 7,7696 0,457216075845292
35575 BDB-kin111714.mol2, BDB-kin111714.pdbqt 403,03 110,53 -5,112 528,615 2,5352 11 1 2 3,1201 0,489745088842406
35576 BDB-kin111715.mol2, BDB-kin111715.pdbqt 418,03 97,64 -6,207 541,654 3,9424 10 1 1 -2,8864 0,194288452440655
35577 BDB-kin111716.mol2, BDB-kin111716.pdbqt 424,64 130,76 -4,905 558,641 2,0148 12 2 2 -1,6432 0,138000672214215
35578 BDB-kin111717.mol2, BDB-kin111717.pdbqt 404,49 113,33 -4,976 527,631 2,061 11 2 2 8,4011 0,520350388246018
35579 BDB-kin111718.mol2, BDB-kin111718.pdbqt 333,37 109,23 -4,81 436,518 1,3909 10 3 0 5,6089 0,640816269513546
35580 BDB-kin111719.mol2, BDB-kin111719.pdbqt 405,73 100,44 -5,771 526,643 3,0619 10 2 1 8,4011 0,438049083632337
35581 BDB-kin111720.mol2, BDB-kin111720.pdbqt 344,47 100,44 -4,448 450,545 1,6438 10 2 0 9,1937 0,660532802504112
35582 BDB-kin111721.mol2, BDB-kin111721.pdbqt 362,22 117,51 -4,73 478,555 1,7005 11 2 1 7,2491 0,6016096953841
35583 BDB-kin111722.mol2, BDB-kin111722.pdbqt 373,68 129,54 -4,909 493,57 1,4295 12 3 1 6,8917 0,570160205627294
35584 BDB-kin111723.mol2, BDB-kin111723.pdbqt 384,78 120,75 -4,547 507,597 1,696 12 2 2 5,6865 0,583551392336116
35585 BDB-kin111724.mol2, BDB-kin111724.pdbqt 372,22 126,74 -5,045 494,554 1,9037 12 2 1 3,4747 0,543859910175054
35586 BDB-kin111725.mol2, BDB-kin111725.pdbqt 454,74 143,29 -5,817 604,673 2,8512 13 2 2 6,2696 0,377797964940647
35587 BDB-kin111726.mol2, BDB-kin111726.pdbqt 370,76 123,94 -5,181 495,538 2,3779 12 1 1 0,29821 0,418531264472521
35588 BDB-kin111727.mol2, BDB-kin111727.pdbqt 392,37 144,17 -4,974 525,564 1,8575 13 2 2 -4,8884 0,126985628425582
35589 BDB-kin111728.mol2, BDB-kin111728.pdbqt 385,98 126,74 -5,345 508,581 2,31 12 2 2 3,0403 0,493287219769688
35590 BDB-kin111729.mol2, BDB-kin111729.pdbqt 393,83 126,74 -5,42 526,571 2,0844 12 2 2 1,541 0,44072133043242
These data are only available for scientific research purposes.