• Drug Bank
Page 
 of 344
Records 5701 to 5720 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
DB08065 mol2, pdbqt 144,28 -2,237 184,202 0,8868 4 2 0 1,8328 0,886241718215578 BBB+ HIA+ Caco2-
DB08066 mol2, pdbqt 233,25 -3,749 303,324 2,0343 6 3 0 3,4185 0,816410222059261 BBB+ HIA+ Caco2+
DB08067 mol2, pdbqt 294,98 -3,103 382,447 0,4411 9 5 0 4,4682 0,667184888899117 BBB+ HIA+ Caco2-
DB08068 mol2, pdbqt 332,09 -3,783 445,921 2,7422 6 1 0 2,8191 0,679344688881751 BBB+ HIA+ Caco2+
DB08069 mol2, pdbqt 157,98 -3,056 206,272 0,4201 4 2 0 -0,10458 0,243886738201354 BBB+ HIA+ Caco2+
DB08070 mol2, pdbqt 169,65 -2,715 201,272 1,0453 3 2 0 1,2432 0,827754486427389 BBB+ HIA+ Caco2+
DB08071 mol2, pdbqt 226,9 -3,614 259,435 4,773 1 0 0 2,8387 0,397842751681962 BBB+ HIA+ Caco2+
DB08072 mol2, pdbqt 286,13 -5,183 383,274 3,7265 5 2 0 -1,1127 0,364019879952613 BBB+ HIA+ Caco2+
DB08073 mol2, pdbqt 309,44 -5,274 397,481 2,7787 6 3 0 1,6151 0,553847940179758 BBB+ HIA+ Caco2-
DB08074 mol2, pdbqt 163,72 -3,586 203,248 0,0898 5 1 0 2,6516 0,857276004664818 BBB+ HIA+ Caco2+
DB08075 mol2, pdbqt 142,28 -2,238 193,234 0,5778 5 2 0 2,7804 0,924871251568107 BBB+ HIA+ Caco2+
DB08076 mol2, pdbqt 243,64 -2,797 334,209 2,7257 5 1 0 2,6654 0,494251955174969 BBB+ HIA+ Caco2+
DB08077 mol2, pdbqt 273,56 -5,396 383,23 3,8129 6 3 0 -1,3852 0,334849184258285 BBB+ HIA+ Caco2-
DB08078 mol2, pdbqt 318,3 -4,108 402,441 3,2684 7 2 0 -3,3335 0,360417209948302 BBB- HIA+ Caco2-
DB08080 mol2, pdbqt 296,26 -4,246 395,518 3,4814 6 2 0 -10,08 0,339853362189604 BBB- HIA+ Caco2-
DB08081 mol2, pdbqt 195,79 -2,12 241,286 0,8115 5 1 0 -14,556 0,283625704551552 BBB+ HIA+ Caco2-
DB08082 mol2, pdbqt 151,76 -2,15 199,636 1,184 3 2 0 1,4176 0,856853139864387 BBB+ HIA+ Caco2+
DB08083 mol2, pdbqt 187,75 -2,556 280,332 0,5345 6 2 0 3,1635 0,347128205825719 BBB+ HIA+ Caco2-
DB08084 mol2, pdbqt 270,14 -4,129 416,241 3,2012 4 2 0 -2,744 0,363649386695455 BBB+ HIA+ Caco2+
DB08085 mol2, pdbqt 196,61 -4,092 216,323 4,3768 1 0 0 -21,835 0,106825751245721 BBB+ HIA+ Caco2+
Page 
 of 344
Records 5701 to 5720 of 6870
These data are only available for scientific research purposes.