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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
2704 2704.mol2, BDB-kin2704.pdbqt 325,58 82,05 -3,498 438,529 2,7455 6 2 0 5,0797 0,723487911806608
2705 2705.mol2, BDB-kin2705.pdbqt 338,12 59,27 -2,782 452,556 3,0215 6 1 0 7,5825 0,731590231422672
2706 2706.mol2, BDB-kin2706.pdbqt 325,58 82,05 -3,498 438,529 2,7455 6 2 0 3,3422 0,713339204490996
2707 2707.mol2, BDB-kin2707.pdbqt 325,58 82,05 -3,498 438,529 2,7455 6 2 0 5,2271 0,723793772692278
2708 2708.mol2, BDB-kin2708.pdbqt 298,06 82,05 -3,176 410,476 2,2088 6 2 0 6,1064 0,787726197210469
2709 2709.mol2, BDB-kin2709.pdbqt 298,06 82,05 -3,176 410,476 2,2088 6 2 0 5,4458 0,786909105905493
2710 2710.mol2, BDB-kin2710.pdbqt 311,82 82,05 -3,446 424,503 2,5508 6 2 0 4,9 0,747557107327207
2711 2711.mol2, BDB-kin2711.pdbqt 288,5 68,06 -2,632 396,449 1,7677 6 2 0 6,2684 0,833057310802668
2712 2712.mol2, BDB-kin2712.pdbqt 327,02 68,06 -3,144 438,529 2,755 6 2 0 7,0108 0,743822334110168
2713 2713.mol2, BDB-kin2713.pdbqt 357,13 59,27 -2,517 467,591 2,0335 6 1 0 4,9125 0,745747507030009
2714 2714.mol2, BDB-kin2714.pdbqt 311,82 82,05 -3,228 424,503 2,4035 6 2 0 6,1297 0,765528424872539
2715 2715.mol2, BDB-kin2715.pdbqt 311,82 82,05 -3,228 424,503 2,4035 6 2 0 6,1297 0,765528424872539
2764 2764.mol2, BDB-kin2764.pdbqt 380,41 71,06 -6,599 495,397 6,0145 6 0 1 -14,671 8,39571245479642E-02
3003 3003.mol2, BDB-kin3003.pdbqt 221,38 69,62 -5,072 287,325 2,2893 5 1 0 2,2481 0,658912242875838
3004 3004.mol2, BDB-kin3004.pdbqt 197,39 118,53 -5,318 275,702 1,4439 7 4 0 2,4333 0,520892417115732
3005 3005.mol2, BDB-kin3005.pdbqt 188,87 92,51 -4,971 260,687 1,7517 6 3 0 2,7062 0,557758635941741
3006 3006.mol2, BDB-kin3006.pdbqt 236,15 78,52 -5,737 302,34 3,3534 6 3 0 2,7404 0,451800007542458
3007 3007.mol2, BDB-kin3007.pdbqt 251,57 78,52 -6,473 336,785 3,9594 6 3 0 2,7688 0,375718567076087
3008 3008.mol2, BDB-kin3008.pdbqt 266,99 78,52 -7,209 371,23 4,5654 6 3 0 2,7688 0,31264441090985
3009 3009.mol2, BDB-kin3009.pdbqt 270,2 78,52 -7,307 415,681 4,6846 6 3 0 0,97881 0,257590432753659
These data are only available for scientific research purposes.