• Drug Bank
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 of 344
Records 2001 to 2020 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
DB02326 mol2, pdbqt 136,44 -1,339 175,183 -0,29 5 3 0 -2,1224 0,539743069079627 BBB+ HIA+ Caco2-
DB02327 mol2, pdbqt 128,76 0,188 150,173 -1,0612 4 2 0 -20,348 0,177964389700353 BBB+ HIA+ Caco2-
DB02328 mol2, pdbqt 288,42 1,502 424,238 -7,342 12 6 2 -23,97 0,427884537298646 BBB- HIA- Caco2-
DB02329 mol2, pdbqt 414,05 -6,205 570,764 5,473 7 2 2 -4,6406 0,139650734820372 BBB+ HIA+ Caco2-
DB02331 mol2, pdbqt 395,78 -8,31 550,461 7,2337 5 1 2 2,6722 0,148664253324887 BBB+ HIA+ Caco2-
DB02332 mol2, pdbqt 494,45 -2,538 786,563 -7,9759 24 9 3 -30,946 0,247650041675775 BBB+ HIA- Caco2-
DB02333 mol2, pdbqt 278,34 2,742 468,14 -9,8503 16 6 2 -29,764 0,25505379331365 BBB+ HIA- Caco2-
DB02334 mol2, pdbqt 105,14 0,446 170,141 -3,1668 6 3 0 -5,8101 0,495658467145128 BBB+ HIA+ Caco2-
DB02335 mol2, pdbqt 76,5 -1,477 102,161 -0,5492 2 1 0 0,51042 0,795909319176117 BBB+ HIA+ Caco2-
DB02336 mol2, pdbqt 458,73 -2,507 643,568 -3,2561 12 6 3 -7,436 0,277014644247837 BBB+ HIA- Caco2-
DB02337 mol2, pdbqt 182,77 -1,568 235,303 -1,8036 5 3 0 -17,226 0,482045701026976 BBB- HIA+ Caco2-
DB02338 mol2, pdbqt 466,18 0,946 745,423 -11,586 24 9 3 -30,507 0,262149951627425 BBB+ HIA- Caco2-
DB02339 mol2, pdbqt 329,36 -6,725 442,395 6,6182 3 0 1 -8,2456 8,38573108109978E-02 BBB+ HIA+ Caco2+
DB02340 mol2, pdbqt 111,68 -0,097 147,129 -1,7828 5 3 0 -7,2642 0,49466651591435 BBB+ HIA+ Caco2-
DB02341 mol2, pdbqt 448,96 -4,563 632,625 2,981 10 2 1 -58,957 0,221167160405538 BBB- HIA+ Caco2-
DB02343 mol2, pdbqt 225,62 -0,589 250,333 0,5147 5 0 0 -15,061 0,173687838490746 BBB+ HIA+ Caco2+
DB02345 mol2, pdbqt 65,63 -0,616 168,054 -3,3318 3 2 0 -8,8543 0,492388114990656 BBB+ HIA+ Caco2-
DB02346 mol2, pdbqt 335,21 -1,348 468,494 -1,3992 12 7 2 -27,189 0,235793815816477 BBB- HIA+ Caco2-
DB02347 mol2, pdbqt 228,01 -2,078 322,253 -4,8368 9 4 0 -21,971 0,369129089427385 BBB- HIA- Caco2-
DB02348 mol2, pdbqt 59,92 2,149 97,969 -4,7017 3 0 0 -1 0,631675734930142 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2001 to 2020 of 6870
These data are only available for scientific research purposes.