• Drug Bank
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 of 344
Records 5101 to 5120 of 6870
 
Molecule Name
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TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB07434 mol2, pdbqt 344,66 -3,645 457,442 -0,7077 12 5 1 -0,53746 0,498219408103286 BBB- HIA- Caco2-
DB07435 mol2, pdbqt 209,45 -5,818 304,344 3,4162 3 3 0 -0,22966 0,148407820656006 BBB- HIA+ Caco2-
DB07436 mol2, pdbqt 142,78 -2,284 163,219 1,443 2 1 0 0,60663 0,780178374564153 BBB+ HIA+ Caco2+
DB07437 mol2, pdbqt 213,12 -2,392 276,291 0,5003 6 2 0 4,0198 0,921499785976972 BBB+ HIA+ Caco2-
DB07439 mol2, pdbqt 301,2 -4,724 398,414 2,0385 8 3 0 4,4537 0,673843552984425 BBB+ HIA+ Caco2-
DB07440 mol2, pdbqt 155,38 -1,382 214,284 1,0122 3 1 0 -5,1034 0,290520861025392 BBB+ HIA+ Caco2-
DB07441 mol2, pdbqt 255,03 -3,519 335,362 1,5032 6 2 0 -0,51886 0,345854509951654 BBB+ HIA+ Caco2-
DB07443 mol2, pdbqt 225,47 -4,559 278,31 3,3644 4 2 0 -2,0655 0,143085478199236 BBB+ HIA+ Caco2+
DB07444 mol2, pdbqt 239,44 -4,208 321,379 2,3035 5 2 0 1,7228 0,715891993601761 BBB+ HIA+ Caco2-
DB07445 mol2, pdbqt 235,71 -4,002 415,04 2,9597 6 3 0 2,6304 0,410205814062929 BBB+ HIA+ Caco2-
DB07446 mol2, pdbqt 260,44 -4,108 347,434 3,0606 5 2 0 -1,2417 0,456364851956545 BBB+ HIA+ Caco2-
DB07447 mol2, pdbqt 215,28 -4,325 290,445 3,6007 2 1 0 0,57066 0,354504036407712 BBB+ HIA+ Caco2+
DB07448 mol2, pdbqt 275,8 -1,584 361,377 -0,3997 5 3 0 -19,102 0,451841015550218 BBB+ HIA- Caco2-
DB07449 mol2, pdbqt 226,55 -1,337 276,339 -0,2166 6 4 0 5,8455 0,951974531107085 BBB+ HIA+ Caco2-
DB07450 mol2, pdbqt 268,04 -4,597 449,206 1,7293 6 1 0 2,52 0,622750791039612 BBB+ HIA+ Caco2-
DB07451 mol2, pdbqt 272,81 -5,67 422,253 3,5228 6 3 0 -0,61426 0,35220486246229 BBB+ HIA+ Caco2-
DB07452 mol2, pdbqt 151,91 -2,856 216,204 -0,5721 7 4 0 1,1588 0,819419029000665 BBB+ HIA+ Caco2-
DB07453 mol2, pdbqt 206,58 -5,35 272,302 4,5672 2 0 0 0,24192 0,274755295756385 BBB+ HIA+ Caco2+
DB07454 mol2, pdbqt 217,01 -3,719 371,108 1,4635 6 2 0 -15,673 8,65693685233916E-02 BBB+ HIA+ Caco2-
DB07455 mol2, pdbqt 314,66 -5,922 424,584 3,6202 6 2 0 -0,66788 0,331070960606342 BBB+ HIA+ Caco2-
Page 
 of 344
Records 5101 to 5120 of 6870
These data are only available for scientific research purposes.