• Drug Bank
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 of 344
Records 2741 to 2760 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
DB03130 mol2, pdbqt 352,43 -2,204 488,473 -3,3974 14 6 2 -17,545 0,372552300403098 BBB+ HIA- Caco2-
DB03132 mol2, pdbqt 196,26 -3,026 289,399 1,2898 4 1 0 -7,4034 0,44701619595045 BBB+ HIA+ Caco2-
DB03133 mol2, pdbqt 206,61 -0,868 294,306 -0,9211 7 5 0 -2,1523 0,525603873462624 BBB+ HIA+ Caco2-
DB03134 mol2, pdbqt 137,76 -0,961 175,183 -2,4498 5 3 0 -24,488 0,490602103404602 BBB+ HIA- Caco2-
DB03135 mol2, pdbqt 113,68 0,457 169,073 -4,5966 6 3 0 -11,79 0,494308873863164 BBB+ HIA- Caco2-
DB03136 mol2, pdbqt 158,58 -3,25 303,143 1,7062 2 2 0 1,5783 0,795837985602934 BBB+ HIA+ Caco2-
DB03137 mol2, pdbqt 291,34 -4,417 369,399 2,6072 7 1 0 -2,9015 0,378029776331146 BBB+ HIA+ Caco2+
DB03138 mol2, pdbqt 74,39 0,448 100,457 -2,8682 4 1 0 -10,987 0,143076778553941 BBB+ HIA+ Caco2-
DB03139 mol2, pdbqt 273,07 -3,283 357,473 1,5063 7 4 0 -13,427 0,42027975754948 BBB+ HIA- Caco2-
DB03140 mol2, pdbqt 124,66 1,092 165,94 0,8681 4 3 0 -12,794 0,49107418365502 BBB+ HIA+ Caco2+
DB03141 mol2, pdbqt 437,07 -4,254 598,678 2,8987 10 3 1 -0,86606 0,317324552605389 BBB- HIA+ Caco2-
DB03142 mol2, pdbqt 99,16 0,122 150,129 -2,1107 5 4 0 -2,9788 0,518564288007496 BBB+ HIA- Caco2-
DB03143 mol2, pdbqt 142,19 -2,367 144,257 3,2313 1 1 0 -32,166 0,16017899380362 BBB+ HIA+ Caco2+
DB03144 mol2, pdbqt 149,48 -0,355 190,202 -3,5543 7 6 1 -10,858 0,491681634082494 BBB+ HIA+ Caco2-
DB03145 mol2, pdbqt 154,21 0,497 223,188 -2,494 5 2 0 -17,28 0,294091621651344 BBB+ HIA- Caco2-
DB03146 mol2, pdbqt 269,75 1,973 445,261 -8,1255 14 7 2 -20,483 0,119360065797515 BBB+ HIA- Caco2-
DB03147 mol2, pdbqt 376,04 -2,474 785,555 -7,8823 24 9 3 -28,472 0,248319558255163 BBB+ HIA- Caco2-
DB03148 mol2, pdbqt 265,17 -1,834 425,23 -6,7856 14 6 2 -28,495 0,418942476118003 BBB+ HIA- Caco2-
DB03150 mol2, pdbqt 203,48 0,067 306,21 -3,6426 9 3 0 -15,198 0,476203700959012 BBB+ HIA- Caco2-
DB03151 mol2, pdbqt 0 -0,53 286,25 0 0 0 0 -4,6175 0,48248437431475 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2741 to 2760 of 6870
These data are only available for scientific research purposes.