• Drug Bank
Page 
 of 344
Records 1941 to 1960 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
DB02263 mol2, pdbqt 112,12 1,524 170,057 -4,8997 6 3 0 -21,968 0,494944832700546 BBB+ HIA- Caco2-
DB02264 mol2, pdbqt 160,58 1,415 274,201 -4,5852 10 5 0 -1,961 0,543688945143452 BBB+ HIA- Caco2-
DB02265 mol2, pdbqt 89,8 -3,581 102,252 3,0384 0 0 0 -51,38 0,253019475587493 BBB+ HIA+ Caco2+
DB02266 mol2, pdbqt 198,04 -3,985 281,232 3,5234 3 2 0 -8,0595 0,136814318666342 BBB+ HIA+ Caco2+
DB02267 mol2, pdbqt 217,59 0,03 290,275 -4,4188 10 7 1 -10,908 0,479751958663532 BBB- HIA- Caco2-
DB02268 mol2, pdbqt 147,35 -2,047 194,189 0,1711 5 3 0 0,50805 0,224378372973552 BBB+ HIA+ Caco2-
DB02269 mol2, pdbqt 439,49 -4,483 546,693 3,0523 7 3 1 2,1193 0,29516249194588 BBB+ HIA+ Caco2-
DB02270 mol2, pdbqt 172,12 1,278 264,174 -3,7628 6 3 0 -14,881 0,104884107497261 BBB+ HIA- Caco2-
DB02271 mol2, pdbqt 712,78 -3,123 991,924 -3,8706 24 9 3 -49,973 0,234027538401819 BBB- HIA+ Caco2-
DB02272 mol2, pdbqt 174,59 -0,85 226,231 -2,865 6 4 0 0,35389 0,773262983824285 BBB+ HIA+ Caco2-
DB02273 mol2, pdbqt 145,36 -2,413 156,268 3,0952 1 1 0 -8,1602 0,26867110403972 BBB+ HIA+ Caco2+
DB02274 mol2, pdbqt 157,43 -1,678 187,238 -1,3177 4 2 0 -11,936 0,485232833710893 BBB+ HIA+ Caco2-
DB02275 mol2, pdbqt 202,61 -1,02 261,28 -1,8945 6 1 0 -0,19406 0,447625819461296 BBB+ HIA+ Caco2-
DB02276 mol2, pdbqt 331,14 -2,364 445,407 -1,4362 11 4 1 -24,102 0,400362561148019 BBB+ HIA- Caco2-
DB02277 mol2, pdbqt 236,52 -4,856 306,796 3,4566 5 2 0 0,27174 0,524329792389338 BBB+ HIA+ Caco2-
DB02278 mol2, pdbqt 145,83 -2,977 209,208 -1,75 7 4 0 4,009 0,91884730925144 BBB- HIA+ Caco2-
DB02279 mol2, pdbqt 115,11 -1,775 150,133 0,2545 3 1 0 -7,8262 0,23275618723575 BBB+ HIA+ Caco2+
DB02280 mol2, pdbqt 116,21 -1,046 152,149 0,0727 3 2 0 -0,34437 0,415744861130947 BBB+ HIA+ Caco2+
DB02281 mol2, pdbqt 181,54 -0,748 267,244 -2,7461 9 5 0 0,10506 0,735744440659548 BBB+ HIA+ Caco2-
DB02282 mol2, pdbqt 204,57 -3,207 297,338 -0,6637 8 3 0 -0,33194 0,630626152117567 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1941 to 1960 of 6870
These data are only available for scientific research purposes.