• Drug Bank
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Records 1101 to 1120 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
DB01267 mol2, pdbqt 82,17 -3,922 426,49 2,6847 7 1 0 7,1426 0,711501317102591 BBB+ HIA+ Caco2-
DB01268 mol2, pdbqt 77,23 -3,471 398,48 1,836 6 3 0 8,335 0,474310994938468 BBB+ HIA+ Caco2-
DB01273 mol2, pdbqt 37,81 -2,311 211,267 2,0113 3 1 0 0,89715 0,795874295935062 BBB+ HIA+ Caco2-
DB01274 mol2, pdbqt 90,82 -3,102 344,41 1,5007 6 4 0 6,9187 0,859037641177101 BBB- HIA+ Caco2-
DB01275 mol2, pdbqt 63,83 -2,295 160,18 1,3381 4 2 0 -4,3224 0,10378634151644 BBB+ HIA+ Caco2+
DB01280 mol2, pdbqt 148,77 -2,614 297,27 -1,4401 10 4 0 -0,76458 0,605125349191511 BBB+ HIA+ Caco2-
DB01282 mol2, pdbqt 387,81 -4,499 988,174 -2,6767 23 10 3 10,423 0,40672887140624 BBB- HIA+ Caco2-
DB01283 mol2, pdbqt 49,33 -4,566 293,724 3,7239 3 2 0 -2,0597 0,382888035678709 BBB+ HIA+ Caco2+
DB01284 mol2, pdbqt 1184 -9,206 2933,48 -17,761 71 42 3 0,76579 0,213415234376148 BBB- HIA+ Caco2-
DB01288 mol2, pdbqt 92,95 -1,981 303,357 1,5464 5 5 0 6,9765 0,551887327822189 BBB- HIA+ Caco2-
DB01289 mol2, pdbqt 142,02 -3,517 449,53 1,035 10 3 0 4,119 0,352527993847529 BBB+ HIA+ Caco2-
DB01291 mol2, pdbqt 85,61 -0,684 240,302 -0,3137 5 4 0 8,0069 0,969789271327683 BBB- HIA+ Caco2-
DB01294 mol2, pdbqt 55,76 -0,693 362,093 0,828 4 1 0 -1,9342 0,510614883621104 BBB+ HIA+ Caco2+
DB01295 mol2, pdbqt 59,95 -3,105 345,437 2,5076 5 2 0 3,1363 0,820692128605298 BBB- HIA+ Caco2-
DB01296 mol2, pdbqt 116,17 0,175 179,171 -3,0186 6 5 0 0,12186 0,754987347269477 BBB- HIA- Caco2-
DB01297 mol2, pdbqt 70,59 -2,31 266,34 0,9248 5 3 0 7,223 0,932372129032588 BBB- HIA+ Caco2-
DB01298 mol2, pdbqt 113,24 -2,322 294,334 -0,0121 7 2 0 4,3984 0,921341853419861 BBB+ HIA+ Caco2-
DB01299 mol2, pdbqt 124,81 -3,107 310,333 0,281 8 2 0 1,9652 0,666061289572553 BBB- HIA+ Caco2-
DB01301 mol2, pdbqt 170,87 -2,383 527,572 -0,4701 11 6 3 7,6462 0,683290973624789 BBB- HIA+ Caco2-
DB01303 mol2, pdbqt 69,3 -1,481 180,167 -0,3112 6 1 0 2,5134 0,202258726871863 BBB+ HIA+ Caco2+
Page 
 of 344
Records 1101 to 1120 of 6870
These data are only available for scientific research purposes.