• Drug Bank
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 of 344
Records 2841 to 2860 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
DB03233 mol2, pdbqt 210,85 0,326 321,225 -6,7129 10 4 0 -16,526 0,472658684702335 BBB+ HIA+ Caco2-
DB03234 mol2, pdbqt 303,78 -6,659 420,349 5,4721 2 0 1 -0,50207 0,237973278535623 BBB+ HIA+ Caco2+
DB03235 mol2, pdbqt 387,63 -1,136 527,573 -5,7965 14 6 3 -3,4181 0,361994655024419 BBB+ HIA- Caco2-
DB03236 mol2, pdbqt 151,39 -0,282 189,214 -6,0499 6 4 0 -8,0118 0,492110677125373 BBB+ HIA- Caco2-
DB03237 mol2, pdbqt 130,91 0,132 192,123 -2,8544 7 4 0 -7,4205 0,492685382519923 BBB+ HIA- Caco2-
DB03238 mol2, pdbqt 94,48 -2,32 129,109 1,1839 1 1 0 -3,2484 0,296268014133956 BBB+ HIA+ Caco2+
DB03239 mol2, pdbqt 288,54 -4,66 405,318 -0,2075 12 3 1 -18,548 0,346976252326308 BBB- HIA+ Caco2-
DB03240 mol2, pdbqt 166,84 -1,348 239,23 -3,1922 7 3 0 -2,5928 0,413521859888973 BBB- HIA+ Caco2-
DB03241 mol2, pdbqt 107,6 -1,449 115,175 0,2362 2 1 0 -10,055 0,312679325648138 BBB+ HIA+ Caco2+
DB03242 mol2, pdbqt 189,94 -1,282 271,268 -1,3527 7 5 0 -4,4408 0,24797033488794 BBB- HIA- Caco2-
DB03243 mol2, pdbqt 86,62 -1,89 126,153 0,7653 1 1 0 -3,4112 0,498561607404774 BBB+ HIA+ Caco2+
DB03244 mol2, pdbqt 169,64 -0,451 212,252 -2,7062 6 2 0 -6,8504 0,490161166106565 BBB+ HIA+ Caco2-
DB03245 mol2, pdbqt 586,59 0,429 882,626 -10,472 27 9 3 -37,082 0,251957402556557 BBB- HIA+ Caco2-
DB03246 mol2, pdbqt 99,16 0,122 150,129 -2,1107 5 4 0 -2,9788 0,518564288007496 BBB+ HIA- Caco2-
DB03247 mol2, pdbqt 304,52 -0,847 456,347 -5,3101 13 6 2 -15,539 0,403855395792031 BBB- HIA- Caco2-
DB03248 mol2, pdbqt 122,59 0,98 184,083 -3,6559 6 3 0 -18,617 0,49381471143787 BBB+ HIA- Caco2-
DB03249 mol2, pdbqt 235,48 0,178 350,263 -3,7975 10 3 0 -13,877 0,463104317115252 BBB+ HIA- Caco2-
DB03250 mol2, pdbqt 212,98 -1,637 311,357 -0,403 6 4 0 -1,5615 0,548500281781998 BBB- HIA+ Caco2-
DB03251 mol2, pdbqt 297,63 -3,515 387,506 0,9541 7 4 0 4,9302 0,804332661628081 BBB+ HIA+ Caco2-
DB03252 mol2, pdbqt 122,18 -0,785 146,189 -4,6792 4 3 0 -18,213 0,492840235102126 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2841 to 2860 of 6870
These data are only available for scientific research purposes.