• Drug Bank
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 of 344
Records 2941 to 2960 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
DB03338 mol2, pdbqt 216,48 -1,527 278,343 0,4854 6 4 0 -22,067 0,473798295658127 BBB- HIA- Caco2-
DB03339 mol2, pdbqt 119,65 -2,516 234,032 1,4994 1 1 0 -1,0949 0,580773041416139 BBB+ HIA+ Caco2+
DB03340 mol2, pdbqt 165,12 1,211 239,163 -4,5598 7 4 0 -16,082 0,489021287887622 BBB- HIA- Caco2-
DB03341 mol2, pdbqt 677,05 -2,286 1046,67 -7,2619 26 11 3 -31,069 0,242572863339883 BBB- HIA+ Caco2-
DB03342 mol2, pdbqt 179,83 -1,623 238,246 -4,9166 7 5 0 0,72558 0,483613307181938 BBB+ HIA+ Caco2-
DB03343 mol2, pdbqt 93,86 -1,308 134,087 -1,5819 5 4 0 -0,26793 0,70317526108458 BBB+ HIA+ Caco2-
DB03344 mol2, pdbqt 313,7 8,144 580,05 -19,28 21 11 3 -19,05 0,319189216910674 BBB+ HIA- Caco2-
DB03345 mol2, pdbqt 63,23 -1,134 78,1346 -0,0167 1 1 0 -6,3477 0,177318369150274 BBB+ HIA+ Caco2+
DB03346 mol2, pdbqt 207,4 -6,054 323,99 5,0514 2 2 1 -1,9236 0,199620031459193 BBB+ HIA+ Caco2+
DB03347 mol2, pdbqt 145,33 -0,607 182,155 0,4987 4 0 0 -21,576 0,105599719772498 BBB+ HIA+ Caco2-
DB03349 mol2, pdbqt 239,92 -1,348 426,119 -4,1865 12 5 1 -22,703 0,421625405118364 BBB+ HIA- Caco2-
DB03350 mol2, pdbqt 0 -0,53 161,118 0 6 6 1 -1,7675 0,562995501158525 BBB+ HIA- Caco2-
DB03351 mol2, pdbqt 251,78 -5,544 331,382 1,7866 7 3 0 -0,28417 0,451180039455752 BBB+ HIA+ Caco2+
DB03352 mol2, pdbqt 122,36 1,924 245,087 -2,6617 6 4 0 -6,3436 8,45499942138852E-02 BBB+ HIA- Caco2-
DB03353 mol2, pdbqt 177,62 -1,616 243,33 0,7884 5 4 0 -6,1879 0,478461852470527 BBB+ HIA+ Caco2-
DB03354 mol2, pdbqt 170,89 0,475 246,218 -2,4491 8 4 0 -1,9638 0,54747247244852 BBB+ HIA+ Caco2-
DB03355 mol2, pdbqt 294,85 -2,326 447,428 -3,4138 15 6 2 -10,462 0,319846780036196 BBB+ HIA+ Caco2-
DB03357 mol2, pdbqt 116,21 -1,046 152,149 0,0727 3 2 0 -0,34437 0,415744861130947 BBB+ HIA+ Caco2+
DB03358 mol2, pdbqt 316,8 2,678 539,223 -11,334 19 9 3 -27,487 0,346033963107863 BBB+ HIA- Caco2-
DB03359 mol2, pdbqt 179,66 -1,458 250,239 0,5658 3 2 0 -12,823 0,478423141001729 BBB+ HIA+ Caco2+
Page 
 of 344
Records 2941 to 2960 of 6870
These data are only available for scientific research purposes.