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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50446621 50446621.mol2, BDB-kin50446621.pdbqt 485,77 125,82 -9,092 657,672 4,6991 11 2 2 3,485 0,222912694338422
50446622 50446622.mol2, BDB-kin50446622.pdbqt 503,94 125,82 -9,466 667,736 5,2861 11 2 3 3,4615 7,15927991562709E-02
50446623 50446623.mol2, BDB-kin50446623.pdbqt 491,68 125,82 -9,122 653,709 4,9422 11 2 2 3,4615 0,215256472258077
50446624 50446624.mol2, BDB-kin50446624.pdbqt 479,42 125,82 -8,778 639,682 4,5983 11 2 2 3,485 0,233044751713632
50446662 50446662.mol2, BDB-kin50446662.pdbqt 474,23 75,99 -8,637 649,737 8,5663 5 2 2 -1,8607 8,53617267803169E-02
50446908 50446908.mol2, BDB-kin50446908.pdbqt 271,29 97,42 -4,181 356,385 1,7592 9 2 0 1,8032 0,123345604237638
50446909 50446909.mol2, BDB-kin50446909.pdbqt 283,49 114,71 -6,074 369,444 3,9679 6 2 0 1,0022 0,124138181395731
50446910 50446910.mol2, BDB-kin50446910.pdbqt 300,43 58,64 -4,967 404,852 3,2977 5 1 0 3,8558 0,605443804442685
50446911 50446911.mol2, BDB-kin50446911.pdbqt 266,36 62,55 -5,086 364,787 2,8885 5 1 0 4,963 0,230209425763463
50446912 50446912.mol2, BDB-kin50446912.pdbqt 254,34 57,78 -4,069 337,381 2,3035 4 2 0 2,6782 0,452841479662251
50446913 50446913.mol2, BDB-kin50446913.pdbqt 240,81 79,52 -5,262 328,33 4,2337 6 2 0 4,122 0,203386308688137
50446914 50446914.mol2, BDB-kin50446914.pdbqt 259,55 93,53 -4,472 369,831 2,0103 5 2 0 4,9528 0,434128680915144
50446981 50446981.mol2, BDB-kin50446981.pdbqt 278,13 98,37 -3,07 367,391 1,2261 9 2 0 2,3224 0,809917303823888
50446982 50446982.mol2, BDB-kin50446982.pdbqt 266,24 109,23 -3,407 353,364 1,0933 9 3 0 2,3224 0,802445865635286
50446983 50446983.mol2, BDB-kin50446983.pdbqt 275,43 106,33 -2,743 365,375 1,087 9 2 0 2,3192 0,826352016945382
50446984 50446984.mol2, BDB-kin50446984.pdbqt 274,19 119,22 -2,688 366,363 0,4915 10 2 0 2,3192 0,831242586049576
50446985 50446985.mol2, BDB-kin50446985.pdbqt 290,85 106,33 -4,087 399,82 2,0733 9 2 0 2,3454 0,70625356200246
50446986 50446986.mol2, BDB-kin50446986.pdbqt 281,78 106,33 -3,902 383,365 1,4707 9 2 0 2,3192 0,742352019645163
50446987 50446987.mol2, BDB-kin50446987.pdbqt 275,43 106,33 -3,588 365,375 1,3699 9 2 0 2,3192 0,780006310139194
50446988 50446988.mol2, BDB-kin50446988.pdbqt 298,93 102,67 -3,556 394,413 2,0179 9 2 0 2,2153 0,747072271502659
These data are only available for scientific research purposes.