• Drug Bank
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Records 121 to 140 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
DB00234 mol2, pdbqt 39,72 -2,976 313,396 2,5587 4 1 0 0,14835 0,661247729171103 BBB+ HIA+ Caco2+
DB00235 mol2, pdbqt 65,78 -1,793 211,223 0,2446 4 1 0 -1,0828 0,602409947034364 BBB+ HIA+ Caco2+
DB00236 mol2, pdbqt 40,62 -1,566 356,057 1,6856 4 0 0 -2,478 0,104041174767116 BBB+ HIA+ Caco2-
DB00237 mol2, pdbqt 75,27 -2,317 212,248 0,8424 5 2 0 9,8238 0,272388235132819 BBB+ HIA+ Caco2-
DB00238 mol2, pdbqt 58,12 -4,666 266,303 1,9589 5 1 0 2,0996 0,710253747968234 BBB+ HIA+ Caco2+
DB00239 mol2, pdbqt 39,41 -6,061 429,133 5,429 4 0 1 5,2455 0,371653341274497 BBB+ HIA+ Caco2+
DB00240 mol2, pdbqt 94,83 -3,445 408,92 1,6957 5 3 0 5,6073 0,782658613631759 BBB+ HIA+ Caco2+
DB00241 mol2, pdbqt 75,27 -2,526 224,259 1,1113 5 2 0 4,3416 0,334340995869217 BBB+ HIA+ Caco2-
DB00242 mol2, pdbqt 119,31 -3,229 285,69 -0,0394 8 3 0 0,89031 0,457061305128831 BBB+ HIA+ Caco2-
DB00243 mol2, pdbqt 74,27 -2,477 427,543 2,2106 7 2 0 8,0575 0,478072475935594 BBB- HIA- Caco2-
DB00244 mol2, pdbqt 83,55 -1,409 153,137 0,1217 4 3 0 -1,5411 0,275363403934071 BBB- HIA+ Caco2-
DB00245 mol2, pdbqt 12,47 -3,917 307,436 4,0633 2 0 0 2,1325 0,678712116541248 BBB+ HIA+ Caco2+
DB00246 mol2, pdbqt 76,71 -3,887 412,944 3,6832 5 1 0 8,1553 0,681654506178718 BBB+ HIA+ Caco2+
DB00247 mol2, pdbqt 57,5 -2,175 353,464 1,4619 5 2 0 8,0208 0,191744225566387 BBB+ HIA+ Caco2-
DB00248 mol2, pdbqt 71,68 -3,176 451,613 3,0883 7 2 0 6,1842 0,428212533929068 BBB+ HIA+ Caco2-
DB00249 mol2, pdbqt 99,1 -1,404 354,095 -0,8884 7 3 0 3,3731 0,538370116209592 BBB+ HIA+ Caco2-
DB00250 mol2, pdbqt 94,56 -3,304 248,305 1,0102 4 2 0 0,83748 0,163730927670823 BBB+ HIA+ Caco2+
DB00251 mol2, pdbqt 64,88 -4,057 532,47 3,7184 8 0 1 6,6933 0,537632237373085 BBB+ HIA+ Caco2+
DB00252 mol2, pdbqt 58,2 -3,141 252,272 1,6705 4 2 0 3,6158 0,190610465986369 BBB+ HIA+ Caco2+
DB00253 mol2, pdbqt 54,37 -4,303 344,493 3,4362 3 1 0 1,5017 0,387509774080141 BBB+ HIA+ Caco2+
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 of 344
Records 121 to 140 of 6870
These data are only available for scientific research purposes.