• Drug Bank
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Records 6741 to 6760 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
DB09348 mol2, pdbqt 26,3 -0,703 72,0628 -0,3622 2 0 0 -2,748 0,18855905985294 BBB+ HIA+ Caco2+
DB09350 mol2, pdbqt 46,15 -3,794 338,442 3,9456 5 0 0 -20,263 0,21660832665367 BBB+ HIA+ Caco2+
DB09351 mol2, pdbqt 50,72 -2,908 307,432 2,2062 4 2 0 4,0444 0,868862411699062 BBB- HIA+ Caco2+
DB09352 mol2, pdbqt 46,25 -1,77 151,208 1,1082 2 2 0 -1,3575 0,34834296601967 BBB+ HIA+ Caco2+
DB09353 mol2, pdbqt 202,4 -5,322 256,528 -4,756 0 0 0 -2,6013 0,221914526869792 BBB+ HIA+ Caco2+
DB09357 mol2, pdbqt 89,79 -0,485 205,253 -0,667 5 4 0 -18,866 0,489417537071305 BBB+ HIA+ Caco2-
DB09374 mol2, pdbqt 141,1 -9,769 754,002 6,5531 8 2 2 -7,8537 2,78700620942025E-02 BBB+ HIA+ Caco2-
DB09376 mol2, pdbqt 60,33 -2,859 363,52 4,2331 5 1 0 -23,605 0,366149099760475 BBB+ HIA+ Caco2-
DB09389 mol2, pdbqt 37,3 -4,587 312,451 3,538 2 1 0 1,4234 0,374347103638843 BBB+ HIA+ Caco2+
DB09394 mol2, pdbqt 87,57 1,958 97,9938 -5,0393 4 3 0 -8,3432 0,179236265133173 BBB+ HIA- Caco2-
DB09395 mol2, pdbqt 37,3 -0,459 60,0518 -0,2991 2 1 0 -2,2628 0,116966257604514 BBB+ HIA+ Caco2+
DB09396 mol2, pdbqt 29,54 -3,353 339,477 4,2826 3 0 0 5,3569 0,717951106960563 BBB+ HIA+ Caco2+
DB09397 mol2, pdbqt 202,4 -5,322 256,528 -4,756 0 0 0 -2,6013 0,221914526869792 BBB+ HIA+ Caco2+
DB09409 mol2, pdbqt 37,3 -0,459 60,0518 -0,2991 2 1 0 -2,2628 0,116966257604514 BBB+ HIA+ Caco2+
DB09413 mol2, pdbqt 87,57 1,958 97,9938 -5,0393 4 3 0 -8,3432 0,179236265133173 BBB+ HIA- Caco2-
DB09414 mol2, pdbqt 87,57 1,958 97,9938 -5,0393 4 3 0 -8,3432 0,179236265133173 BBB+ HIA- Caco2-
DB09421 mol2, pdbqt 150,28 -1,054 362,389 -2,3544 10 4 0 9,5534 0,910492410374154 BBB- HIA+ Caco2-
DB09425 mol2, pdbqt 196,22 2,472 393,348 -8,4274 13 5 1 -7,634 0,445693357402925 BBB- HIA- Caco2-
DB09449 mol2, pdbqt 87,57 1,958 97,9938 -5,0393 4 3 0 -8,3432 0,179236265133173 BBB+ HIA- Caco2-
DB09459 mol2, pdbqt 115,06 0,324 150,086 -2,7102 6 4 0 2,414 0,56959957686149 BBB+ HIA- Caco2-
Page 
 of 344
Records 6741 to 6760 of 6870
These data are only available for scientific research purposes.