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Records 124961 to 124980 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50447864 50447864.mol2, BDB-kin50447864.pdbqt 346,47 95,25 -5,441 474,466 2,7255 7 4 0 3,4674 0,514783847550442
50447865 50447865.mol2, BDB-kin50447865.pdbqt 333,77 95,25 -4,813 438,486 2,5239 7 4 0 4,8074 0,620600329108401
50447866 50447866.mol2, BDB-kin50447866.pdbqt 331,29 121,03 -3,748 440,462 0,8735 9 4 0 4,8074 0,733898453373879
50447867 50447867.mol2, BDB-kin50447867.pdbqt 332,53 108,14 -4,543 439,474 1,8744 8 4 0 4,8074 0,657879317623824
50447868 50447868.mol2, BDB-kin50447868.pdbqt 349,98 99,35 -4,833 471,491 2,2246 8 3 0 5,8521 0,59199975720785
50447869 50447869.mol2, BDB-kin50447869.pdbqt 350,77 97,28 -4,52 471,491 2,108 8 3 0 4,4166 0,620349213479127
50447870 50447870.mol2, BDB-kin50447870.pdbqt 338,88 108,14 -4,857 457,464 1,9752 8 4 0 3,4674 0,600172567910434
50447871 50447871.mol2, BDB-kin50447871.pdbqt 338,88 108,14 -4,857 457,464 1,9752 8 4 0 3,4674 0,600172567910434
50447872 50447872.mol2, BDB-kin50447872.pdbqt 338,88 108,14 -4,857 457,464 1,9752 8 4 0 3,4674 0,600172567910434
50447873 50447873.mol2, BDB-kin50447873.pdbqt 352,64 108,14 -5,127 471,491 2,4296 8 4 0 2,9261 0,546759421714452
50447874 50447874.mol2, BDB-kin50447874.pdbqt 310,27 101,04 -2,936 413,436 1,0196 8 3 0 6,9447 0,812432355372582
50447875 50447875.mol2, BDB-kin50447875.pdbqt 324,03 101,04 -3,206 427,463 1,474 8 3 0 6,4408 0,779714175595118
50447876 50447876.mol2, BDB-kin50447876.pdbqt 310,27 101,04 -2,936 413,436 1,0196 8 3 0 6,9447 0,812432355372582
50447877 50447877.mol2, BDB-kin50447877.pdbqt 310,27 101,04 -2,936 413,436 1,0196 8 3 0 6,9447 0,812432355372582
50447878 50447878.mol2, BDB-kin50447878.pdbqt 324,03 101,04 -3,206 427,463 1,474 8 3 0 6,4408 0,779714175595118
50447879 50447879.mol2, BDB-kin50447879.pdbqt 326,72 90,12 -5,232 453,476 2,7966 7 3 0 4,726 0,558110420048777
50447880 50447880.mol2, BDB-kin50447880.pdbqt 354,24 90,12 -5,772 481,53 3,4806 7 3 0 6,0534 0,4651923542192
50447881 50447881.mol2, BDB-kin50447881.pdbqt 340,48 90,12 -5,502 467,503 3,1386 7 3 0 5,2983 0,511302588586501
50447882 50447882.mol2, BDB-kin50447882.pdbqt 350,48 99,35 -5,327 483,502 2,4875 8 3 0 5,3699 0,52778222141361
50447883 50447883.mol2, BDB-kin50447883.pdbqt 350,48 99,35 -5,327 483,502 2,4875 8 3 0 5,3699 0,52778222141361
These data are only available for scientific research purposes.