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Records 1701 to 1720 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
174421 BDB-kin174581.mol2, BDB-kin174581.pdbqt 332,51 92,29 -6,274 445,525 2,4752 9 1 0 1,6861 0,448325277116364
174422 BDB-kin174582.mol2, BDB-kin174582.pdbqt 351,95 93,07 -5,601 465,552 2,4865 9 1 0 1,4071 0,470640755479456
174423 BDB-kin174583.mol2, BDB-kin174583.pdbqt 339,05 92,71 -5,941 460,536 2,0645 9 1 0 2,5134 0,485531022804831
174424 BDB-kin174584.mol2, BDB-kin174584.pdbqt 350,88 118,16 -6,408 484,579 1,8778 10 1 0 4,1659 0,44928803328247
174425 BDB-kin174585.mol2, BDB-kin174585.pdbqt 337,41 100,71 -4,912 447,541 2,0258 9 1 0 6,4495 0,61296006207686
174426 BDB-kin174587.mol2, BDB-kin174587.pdbqt 326,56 57,62 -5,559 438,961 3,5445 7 0 0 6,2155 0,516661724581741
174427 BDB-kin174588.mol2, BDB-kin174588.pdbqt 349,63 123,49 -6,028 461,568 2,0252 9 2 0 3,9373 0,492455788325819
174428 BDB-kin174589.mol2, BDB-kin174589.pdbqt 347,46 117,7 -5,952 462,552 2,423 9 2 0 -0,80672 0,32490131185254
174429 BDB-kin174590.mol2, BDB-kin174590.pdbqt 366,88 106,18 -6,454 482,59 3,4098 9 1 0 3,615 0,416879792902336
174430 BDB-kin174591.mol2, BDB-kin174591.pdbqt 347,46 117,7 -6,17 462,552 2,4784 9 2 0 -2,5984 0,256335323033438
174431 BDB-kin174592.mol2, BDB-kin174592.pdbqt 328,47 113,52 -5,887 435,53 2,0643 9 2 0 -3,0922 0,276616540423073
174432 BDB-kin174593.mol2, BDB-kin174593.pdbqt 347,46 117,7 -5,952 462,552 2,423 9 2 0 0,89733 0,424664271361746
174433 BDB-kin174595.mol2, BDB-kin174595.pdbqt 335,87 123,49 -5,976 447,541 1,8305 9 2 0 3,5714 0,508493527750555
174434 BDB-kin174602.mol2, BDB-kin174602.pdbqt 342,23 113,52 -5,939 449,557 2,4633 9 2 0 1,7289 0,469821333683546
174435 BDB-kin174604.mol2, BDB-kin174604.pdbqt 386,88 121,39 -6,309 514,588 2,5463 11 2 2 4,0421 0,420375686396897
174436 BDB-kin174606.mol2, BDB-kin174606.pdbqt 390,63 95,95 -5,273 517,632 2,6846 10 1 1 3,4334 0,487176548500147
174437 BDB-kin174607.mol2, BDB-kin174607.pdbqt 362,15 83,92 -5,342 476,579 2,8591 9 0 0 3,5648 0,518991157300848
174438 BDB-kin174611.mol2, BDB-kin174611.pdbqt 398,02 104,15 -5,899 532,643 3,14 10 1 1 3,6879 0,416691880736641
174439 BDB-kin174612.mol2, BDB-kin174612.pdbqt 372,66 92,71 -6,079 494,569 2,7733 9 1 0 1,1734 0,398699042339805
174440 BDB-kin174613.mol2, BDB-kin174613.pdbqt 382,01 92,71 -6,744 530,549 3,4832 9 1 1 -4,6766 0,185876915099775
These data are only available for scientific research purposes.