• Drug Bank
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Records 5821 to 5840 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
DB08191 mol2, pdbqt 239,81 -6,376 314,343 3,7845 4 2 0 -0,25343 0,363722761514486 BBB+ HIA+ Caco2-
DB08192 mol2, pdbqt 226,82 -2,983 302,397 0,2166 4 2 0 3,7373 0,886919012425738 BBB+ HIA+ Caco2-
DB08193 mol2, pdbqt 134,79 -2,054 181,147 0,2212 5 1 0 -6,7543 0,480868942226666 BBB+ HIA+ Caco2+
DB08194 mol2, pdbqt 136,83 -2,724 181,262 1,022 3 1 0 -1,3718 0,561840201878233 BBB+ HIA+ Caco2-
DB08195 mol2, pdbqt 331,33 -3,085 461,441 -0,4817 10 1 0 -9,7851 0,376749649665714 BBB+ HIA+ Caco2-
DB08196 mol2, pdbqt 231,01 -3,861 302,285 2,8612 7 2 0 -5,5362 8,64081881805588E-02 BBB- HIA+ Caco2+
DB08197 mol2, pdbqt 272,03 -5,837 363,395 3,9714 6 2 0 -2,4978 0,279438822784736 BBB+ HIA+ Caco2-
DB08198 mol2, pdbqt 258,03 -3,486 338,43 2,9718 4 2 0 3,4563 0,790762550385691 BBB- HIA+ Caco2+
DB08199 mol2, pdbqt 235,42 -2,666 312,345 -0,2183 7 3 0 -19,396 0,453941349310054 BBB+ HIA+ Caco2-
DB08200 mol2, pdbqt 249,24 -3,788 304,409 3,1459 3 1 0 -50,843 0,394682952410373 BBB+ HIA+ Caco2+
DB08201 mol2, pdbqt 249,24 -3,788 304,409 3,1459 3 1 0 -50,843 0,394682952410373 BBB+ HIA+ Caco2+
DB08202 mol2, pdbqt 240,39 -1,421 329,448 -0,8285 7 3 0 7,5044 0,557031908239759 BBB+ HIA+ Caco2-
DB08203 mol2, pdbqt 230,76 -2,411 301,349 0,6976 7 2 0 0,26129 0,718445911767645 BBB+ HIA+ Caco2-
DB08204 mol2, pdbqt 288,41 -5,126 413,384 3,811 7 2 0 -6,3012 0,135570003170887 BBB- HIA+ Caco2-
DB08205 mol2, pdbqt 186,94 -4,998 239,273 3,6565 3 1 0 -0,83049 0,429203589350196 BBB+ HIA+ Caco2-
DB08206 mol2, pdbqt 199,68 -5,978 369,012 4,4191 3 1 0 -2,5903 0,255425509542465 BBB+ HIA+ Caco2-
DB08207 mol2, pdbqt 180,59 -5,294 223,274 4,0022 2 0 0 -0,88397 0,392002340663248 BBB+ HIA+ Caco2-
DB08208 mol2, pdbqt 260,42 -3,654 350,295 2,2472 5 3 0 -1,2852 0,294914022316278 BBB+ HIA+ Caco2-
DB08209 mol2, pdbqt 214,96 -4,157 269,303 3,2433 5 1 0 -4,3722 8,35165409581531E-02 BBB+ HIA+ Caco2+
DB08210 mol2, pdbqt 249,27 -3,284 349,413 2,2121 6 2 0 1,6799 0,768288716752975 BBB+ HIA+ Caco2-
Page 
 of 344
Records 5821 to 5840 of 6870
These data are only available for scientific research purposes.