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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3618 3618.mol2, BDB-kin3618.pdbqt 209,41 50,7 -4,649 335,592 3,8453 4 1 0 -2,5554 0,351496196917916
3619 3619.mol2, BDB-kin3619.pdbqt 200,34 50,7 -4,989 319,137 3,5941 4 1 0 -3,955 0,327396367259203
3620 3620.mol2, BDB-kin3620.pdbqt 217,71 62,73 -4,735 330,188 3,1403 5 2 0 -1,7635 0,394398598561051
3621 3621.mol2, BDB-kin3621.pdbqt 228,81 53,94 -4,711 344,215 3,3897 5 1 0 -1,156 0,416625644701054
3622 3622.mol2, BDB-kin3622.pdbqt 216,25 59,93 -4,693 331,172 3,4233 5 1 0 -2,7293 0,360095790848602
3624 3624.mol2, BDB-kin3624.pdbqt 230,05 55,63 -5,318 354,21 3,3995 5 1 0 1,8527 0,561867898474077
3625 3625.mol2, BDB-kin3625.pdbqt 270,51 96,09 -4,687 414,262 2,1614 7 3 0 2,8458 0,647747477869506
3626 3626.mol2, BDB-kin3626.pdbqt 280,13 58,87 -4,446 411,306 2,949 6 1 0 5,0096 0,669856249924379
3627 3627.mol2, BDB-kin3627.pdbqt 307,15 68,1 -4,513 453,343 2,918 7 1 0 2,9165 0,60971931764412
3628 3628.mol2, BDB-kin3628.pdbqt 255,65 92,93 -4,798 398,219 2,3792 7 2 0 -1,8896 0,375375359477409
3630 3630.mol2, BDB-kin3630.pdbqt 231,29 42,74 -5,238 353,222 4,1925 4 1 0 -0,68387 0,377001974683249
3631 3631.mol2, BDB-kin3631.pdbqt 271,75 83,2 -4,607 413,274 2,9544 6 3 0 1,0026 0,566695313971122
3632 3632.mol2, BDB-kin3632.pdbqt 281,37 45,98 -4,366 410,318 3,742 5 1 0 3,2373 0,6296348812005
3633 3633.mol2, BDB-kin3633.pdbqt 295,13 45,98 -4,636 424,345 4,1964 5 1 0 3,7256 0,568713414745595
3634 3634.mol2, BDB-kin3634.pdbqt 308,39 55,21 -4,433 452,355 3,711 6 1 0 0,5845 0,491614680309211
3635 3635.mol2, BDB-kin3635.pdbqt 322,15 55,21 -4,703 466,382 4,1654 6 1 0 0,6026 0,439594612755242
3636 3636.mol2, BDB-kin3636.pdbqt 256,89 80,04 -4,718 397,231 3,1722 6 2 0 -5,8379 0,325057732689458
3637 3637.mol2, BDB-kin3637.pdbqt 311,2 97,3 -4,675 456,343 2,6418 7 4 0 -1,1016 0,110741603303498
3703 3703.mol2, BDB-kin3703.pdbqt 269,27 94,4 -4,48 404,267 2,1794 7 3 0 1,8925 0,38999717676685
3704 3704.mol2, BDB-kin3704.pdbqt 267,79 65,97 -4,263 387,284 2,7176 6 2 0 1,48 0,650753397438139
These data are only available for scientific research purposes.