• Drug Bank
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Records 4801 to 4820 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
DB07122 mol2, pdbqt 204,82 -3,22 253,304 1,6549 4 3 0 1,6637 0,818749346216009 BBB+ HIA+ Caco2-
DB07123 mol2, pdbqt 241,13 -3,854 293,409 4,553 2 0 0 4,0169 0,67448450883895 BBB+ HIA+ Caco2+
DB07124 mol2, pdbqt 298,38 -3,838 384,442 2,1438 7 1 0 2,5967 0,744499455816377 BBB+ HIA+ Caco2-
DB07125 mol2, pdbqt 249,98 -4,255 326,355 1,0154 7 3 0 4,3994 0,468363751135022 BBB+ HIA+ Caco2-
DB07126 mol2, pdbqt 293,59 -5,585 402,478 2,6746 9 3 0 -2,2517 0,250522120768079 BBB+ HIA+ Caco2-
DB07127 mol2, pdbqt 335,8 -1,518 455,494 0,7182 10 2 0 3,3465 0,784022212393713 BBB+ HIA+ Caco2-
DB07128 mol2, pdbqt 270,95 -4,054 344,849 3,8205 6 2 0 2,1583 0,671325486759275 BBB+ HIA+ Caco2-
DB07129 mol2, pdbqt 154,82 -2,569 179,262 1,7185 2 1 0 -1,6012 0,261322998386807 BBB+ HIA+ Caco2+
DB07130 mol2, pdbqt 219,55 -4,373 357,179 2,6948 5 2 0 -3,9257 0,296943030616824 BBB+ HIA+ Caco2-
DB07131 mol2, pdbqt 308,71 -3,078 384,522 2,0735 6 3 0 2,6595 0,794243609363611 BBB+ HIA+ Caco2-
DB07132 mol2, pdbqt 213,17 -2,539 282,302 0,1901 6 3 0 4,4051 0,918526025955084 BBB+ HIA+ Caco2-
DB07133 mol2, pdbqt 291,36 -3,369 365,475 1,9529 5 2 0 2,9703 0,802789832530594 BBB+ HIA+ Caco2-
DB07134 mol2, pdbqt 212,73 -5,131 328,799 2,2918 5 1 0 5,2272 0,401138091366414 BBB+ HIA+ Caco2-
DB07135 mol2, pdbqt 323,34 -3,431 430,526 0,6963 8 1 0 4,2525 0,764863514437582 BBB+ HIA+ Caco2-
DB07136 mol2, pdbqt 366,62 -2,814 496,563 -0,1821 8 4 0 -18,428 0,357505853463974 BBB+ HIA+ Caco2-
DB07137 mol2, pdbqt 253,13 -4,428 337,382 1,1866 7 1 0 1,4555 0,330442555624972 BBB+ HIA+ Caco2-
DB07139 mol2, pdbqt 204,25 -4,441 277,299 2,4405 5 1 0 -5,1889 0,383746678943368 BBB+ HIA+ Caco2-
DB07140 mol2, pdbqt 296,42 -6,83 358,444 4,3405 5 2 0 -4,6833 0,13188415225758 BBB+ HIA+ Caco2+
DB07141 mol2, pdbqt 308,68 -7,174 372,471 4,6844 5 2 0 -4,6833 0,199896277333289 BBB+ HIA+ Caco2+
DB07142 mol2, pdbqt 320,94 -7,518 386,497 5,0283 5 2 1 -4,6833 0,18174278746435 BBB+ HIA+ Caco2+
Page 
 of 344
Records 4801 to 4820 of 6870
These data are only available for scientific research purposes.