• Drug Bank
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Records 6761 to 6780 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
DB09460 mol2, pdbqt 69,18 -0,646 60,008 -4,4924 3 0 0 -2,2548 0,542595143502686 BBB+ HIA+ Caco2+
DB09462 mol2, pdbqt 60,69 0,159 92,0935 -1,4436 3 3 0 -3,0756 0,111936659294102 BBB- HIA+ Caco2-
DB09472 mol2, pdbqt 82,98 1,524 98,0779 -3,4103 4 2 0 -2,0209 7,20337002000834E-02 BBB+ HIA- Caco2-
DB09473 mol2, pdbqt 35,95 -2,026 144,153 0,0519 2 0 0 -1,8275 0,549658541738229 BBB+ HIA+ Caco2+
DB09477 mol2, pdbqt 106,94 -2,049 348,398 -0,8587 7 3 0 4,1751 0,898976322658929 BBB- HIA+ Caco2-
DB09481 mol2, pdbqt 69,18 -0,646 60,008 -4,4924 3 0 0 -2,2548 0,542595143502686 BBB+ HIA+ Caco2+
DB09488 mol2, pdbqt 53,43 -3,518 348,445 1,7222 4 1 0 3,8335 0,819988115331896 BBB+ HIA+ Caco2-
DB09490 mol2, pdbqt 0 -2,633 221,179 0 0 0 0 -1 0,171344226012289 BBB+ HIA+ Caco2+
DB09495 mol2, pdbqt 43,37 -5,064 310,392 4,0507 3 0 0 -8,9822 0,30440511007649 BBB+ HIA+ Caco2+
DB09496 mol2, pdbqt 35,53 -3,955 290,401 4,7284 3 0 0 -7,2405 7,09294970036798E-02 BBB+ HIA+ Caco2+
DB09499 mol2, pdbqt 98 -0,074 114,145 -2,683 3 2 0 -2,39 0,537285795443759 BBB+ HIA+ Caco2-
DB09502 mol2, pdbqt 97,99 -0,251 182,146 -2,657 5 4 0 -4,2144 0,499537457304463 BBB+ HIA+ Caco2-
DB09509 mol2, pdbqt 322,44 1,918 428,059 -25,002 14 0 1 -2,5971 0,455133141713902 BBB+ HIA- Caco2-
DB09510 mol2, pdbqt 70,1 0,098 60,0558 -1,3206 3 3 0 -1,3519 0,59888837798388 BBB+ HIA+ Caco2-
DB09513 mol2, pdbqt 69,11 -0,798 60,0558 -1,3194 3 2 0 -1,284 7,80032402962145E-02 BBB+ HIA+ Caco2-
DB09517 mol2, pdbqt 189,53 0,682 342,296 -4,6102 11 8 2 -6,8467 0,280167027545366 BBB+ HIA- Caco2-
DB09526 mol2, pdbqt 40,46 -1,024 110,112 0,9682 2 2 0 -2,2721 6,92715429181139E-02 BBB+ HIA+ Caco2+
DB09534 mol2, pdbqt 159,64 -4,524 562,702 1,5928 8 2 1 -6,8557 0,157697535903021 BBB+ HIA+ Caco2-
DB09536 mol2, pdbqt 34,14 -0,53 79,865 0,6634 2 0 0 -2,5375 0,528451441937027 BBB+ HIA+ Caco2+
DB09543 mol2, pdbqt 46,53 -1,805 166,175 1,5708 3 1 0 -3,8376 0,488237895997412 BBB+ HIA+ Caco2+
Page 
 of 344
Records 6761 to 6780 of 6870
These data are only available for scientific research purposes.