• Drug Bank
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Records 1661 to 1680 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
DB01962 mol2, pdbqt 178,61 -0,135 261,169 -5,1399 7 4 0 -29,336 0,484663366906959 BBB+ HIA- Caco2-
DB01963 mol2, pdbqt 128,08 -1,606 149,984 2,3902 2 2 0 -13,3 0,471522117457187 BBB+ HIA+ Caco2+
DB01964 mol2, pdbqt 246,31 -2,711 390,46 0,7095 8 2 0 3,4276 0,833900734237512 BBB+ HIA+ Caco2-
DB01965 mol2, pdbqt 279,91 3,817 467,156 -9,9439 16 7 2 -20,91 0,399289356654054 BBB+ HIA- Caco2-
DB01966 mol2, pdbqt 660,02 -8,145 748,075 9,6173 9 2 2 -58,194 6,89032129565833E-02 BBB+ HIA- Caco2-
DB01967 mol2, pdbqt 297,75 -3,541 403,545 3,0125 6 1 0 3,5528 0,738915930665254 BBB+ HIA+ Caco2-
DB01968 mol2, pdbqt 64,38 -1,608 75,1347 -0,7002 1 1 0 -3,9666 0,498651927454931 BBB+ HIA+ Caco2+
DB01969 mol2, pdbqt 564,86 -0,623 877,572 -8,8391 24 9 3 -62,681 0,251096604327341 BBB- HIA+ Caco2-
DB01970 mol2, pdbqt 293,27 -1,049 365,465 -0,2085 8 6 1 -15,683 0,452944149206729 BBB- HIA+ Caco2-
DB01971 mol2, pdbqt 112,19 -0,838 138,126 -0,4823 4 2 0 2,0741 0,557398453043311 BBB+ HIA+ Caco2-
DB01972 mol2, pdbqt 227,85 -0,138 363,222 -5,9705 13 6 2 -21,045 0,45766202798765 BBB+ HIA+ Caco2-
DB01973 mol2, pdbqt 184,48 -1,834 259,281 -2,4582 6 2 0 -12,734 0,286100761883115 BBB+ HIA+ Caco2-
DB01974 mol2, pdbqt 180,16 -0,941 263,273 -6,3086 8 5 0 -4,4456 0,487669345416529 BBB+ HIA- Caco2-
DB01975 mol2, pdbqt 348,13 -2,09 557,345 -7,1008 18 8 3 -28,268 0,324993428137424 BBB+ HIA- Caco2-
DB01976 mol2, pdbqt 150,98 -4,904 193,248 3,3711 1 1 0 -1,9084 8,42570637371979E-02 BBB+ HIA+ Caco2+
DB01977 mol2, pdbqt 225,66 -4,003 289,337 2,6898 4 3 0 0,95875 0,685393311347838 BBB+ HIA+ Caco2-
DB01978 mol2, pdbqt 137,68 0,208 184,222 -1,0098 6 4 0 3,5005 0,97061594206716 BBB+ HIA+ Caco2+
DB01979 mol2, pdbqt 133,92 0,123 194,182 -2,1929 6 4 0 -7,2849 0,492478021989471 BBB- HIA- Caco2-
DB01980 mol2, pdbqt 169,88 -2,832 306,098 0,1003 4 3 0 -1,7355 0,519252464853047 BBB+ HIA+ Caco2-
DB01981 mol2, pdbqt 140,39 0,916 242,203 -3,5893 8 3 0 -0,29454 0,696970875920254 BBB+ HIA- Caco2-
Page 
 of 344
Records 1661 to 1680 of 6870
These data are only available for scientific research purposes.