• Drug Bank
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 of 344
Records 5721 to 5740 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
DB08086 mol2, pdbqt 329,17 -3,119 379,543 3,876 6 2 0 -16,358 0,370607889030489 BBB- HIA+ Caco2-
DB08087 mol2, pdbqt 217,54 -4,623 307,308 1,5929 6 1 0 1,216 0,238650752184852 BBB+ HIA+ Caco2-
DB08088 mol2, pdbqt 239,75 -5,104 359,734 2,5595 5 1 0 -10,136 0,195625572383012 BBB+ HIA+ Caco2+
DB08089 mol2, pdbqt 239,88 -4,997 392,22 3,1872 3 1 0 -5,1349 0,313137285129522 BBB+ HIA+ Caco2+
DB08090 mol2, pdbqt 240,01 -2,177 316,396 1,0709 7 4 0 -15,338 0,274414112796569 BBB- HIA+ Caco2-
DB08091 mol2, pdbqt 340,63 -4,913 444,509 3,8168 6 2 0 0,33484 0,441384136452279 BBB+ HIA+ Caco2-
DB08092 mol2, pdbqt 254,59 -4,07 339,369 2,6163 5 2 0 1,0253 0,668424856048367 BBB+ HIA+ Caco2-
DB08093 mol2, pdbqt 198,66 -4,369 250,3 2,8753 3 1 0 -2,0508 0,204164377554601 BBB+ HIA+ Caco2+
DB08094 mol2, pdbqt 308,41 -5,179 441,458 1,1683 9 2 0 5,0678 0,598840006058126 BBB+ HIA+ Caco2-
DB08095 mol2, pdbqt 344,99 -6,904 455,944 3,6289 8 3 0 2,8484 0,321765017936978 BBB- HIA+ Caco2-
DB08096 mol2, pdbqt 289,92 -6,398 400,819 4,9751 6 2 0 0,98339 0,275444459730847 BBB+ HIA+ Caco2+
DB08097 mol2, pdbqt 290,39 -6,61 399,375 4,8225 6 1 0 0,19684 0,308689427450013 BBB+ HIA+ Caco2+
DB08098 mol2, pdbqt 188,94 -4,004 271,209 0,0802 9 1 0 -1,6944 0,289721340819973 BBB+ HIA+ Caco2-
DB08099 mol2, pdbqt 333,72 -6,113 417,555 4,1893 6 2 0 0,7745 0,110654234268683 BBB+ HIA+ Caco2-
DB08100 mol2, pdbqt 190,39 -4,144 224,302 4,2087 1 1 0 -1,7066 0,244176351429637 BBB+ HIA+ Caco2+
DB08101 mol2, pdbqt 203,13 -5,124 354,04 4,9713 1 1 0 -3,4632 0,158452676810295 BBB+ HIA+ Caco2+
DB08102 mol2, pdbqt 176,63 -5,074 328,003 4,4235 1 1 0 -3,91 0,233824331380218 BBB+ HIA+ Caco2+
DB08103 mol2, pdbqt 186,63 -5,285 344,002 4,1599 2 1 0 -3,9954 0,288331285601991 BBB+ HIA+ Caco2+
DB08104 mol2, pdbqt 205,84 -4,5 371,027 3,9118 3 2 0 -1,0444 0,407608131910308 BBB+ HIA+ Caco2+
DB08105 mol2, pdbqt 299,66 -3,801 409,458 2,3463 8 3 0 -5,434 0,225146373386155 BBB+ HIA+ Caco2-
Page 
 of 344
Records 5721 to 5740 of 6870
These data are only available for scientific research purposes.