• Drug Bank
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Records 1861 to 1880 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
DB02175 mol2, pdbqt 75,46 -0,204 104,061 -1,121 4 2 0 -3,7615 0,18235008669182 BBB+ HIA+ Caco2-
DB02176 mol2, pdbqt 46,76 -0,125 259,634 -0,2242 2 0 0 -2,4066 0,523606237314156 BBB+ HIA+ Caco2+
DB02177 mol2, pdbqt 360,87 -5,883 478,571 3,5698 8 0 0 -0,4298 0,31827842557496 BBB+ HIA+ Caco2-
DB02178 mol2, pdbqt 106,56 -1,827 120,151 1,2801 1 0 0 -4,3464 0,292681655114399 BBB+ HIA+ Caco2+
DB02179 mol2, pdbqt 198,04 -3,985 281,232 3,5234 3 2 0 -8,0595 0,380039774073172 BBB+ HIA+ Caco2+
DB02180 mol2, pdbqt 698,8 -2,223 977,897 -4,7411 24 9 3 -64,38 0,243452089417682 BBB- HIA+ Caco2-
DB02181 mol2, pdbqt 303 1,615 507,181 -10,034 18 7 3 -29,18 0,369370192274644 BBB+ HIA+ Caco2-
DB02182 mol2, pdbqt 412,04 -11,269 618,513 4,7481 8 2 1 -3,8629 0,119268925157257 BBB+ HIA+ Caco2-
DB02183 mol2, pdbqt 253,45 0,387 732,934 -1,0013 15 6 3 -2,2073 0,289576925925196 BBB+ HIA- Caco2-
DB02184 mol2, pdbqt 110,44 -2,04 154,253 -0,292 2 2 0 -5,227 0,485261943830476 BBB+ HIA+ Caco2-
DB02185 mol2, pdbqt 145,27 -1,14 211,172 0,0016001 6 2 0 1,0646 0,406498717049979 BBB+ HIA+ Caco2-
DB02186 mol2, pdbqt 191,71 1,123 301,271 -4,2252 10 5 0 -1,7219 0,550900086285428 BBB- HIA- Caco2-
DB02187 mol2, pdbqt 37,3 -3,807 268,355 3,9158 2 1 0 0,17108 0,346837170543291 BBB+ HIA+ Caco2+
DB02188 mol2, pdbqt 442,13 -7,53 643,265 4,4522 8 2 1 0,026096 0,190269005057174 BBB- HIA- Caco2-
DB02189 mol2, pdbqt 291,35 0,609 475,183 -8,365 16 5 1 -27,687 0,392757721159964 BBB+ HIA- Caco2-
DB02190 mol2, pdbqt 129,81 -0,031 190,107 -2,3232 7 3 0 -8,1456 0,492352660534619 BBB+ HIA+ Caco2-
DB02191 mol2, pdbqt 179,78 -2,936 240,305 2,3022 3 1 0 2,0735 0,844552411367634 BBB+ HIA+ Caco2+
DB02192 mol2, pdbqt 107,13 -1,612 122,166 1,4924 1 1 0 -4,1391 0,10576760442637 BBB+ HIA+ Caco2+
DB02194 mol2, pdbqt 321,46 -3,898 439,47 2,7233 7 3 0 4,7576 0,695575850699888 BBB+ HIA+ Caco2-
DB02195 mol2, pdbqt 226,8 -7,008 305,311 2,8544 4 1 0 -1,0805 0,317450692057023 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1861 to 1880 of 6870
These data are only available for scientific research purposes.