• Drug Bank
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 of 344
Records 5581 to 5600 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
DB07940 mol2, pdbqt 259,42 -5,837 414,285 4,6886 2 1 0 -4,7538 0,134895495552191 BBB+ HIA+ Caco2-
DB07942 mol2, pdbqt 192,57 -4,411 257,242 2,5147 3 1 0 0,39777 0,614996469835762 BBB+ HIA+ Caco2+
DB07943 mol2, pdbqt 296,25 -3,656 397,865 2,3626 7 2 0 5,8513 0,767198065806677 BBB+ HIA+ Caco2-
DB07944 mol2, pdbqt 295,84 -3,808 384,479 2,3737 6 3 0 -9,0812 0,384227519044494 BBB+ HIA+ Caco2-
DB07945 mol2, pdbqt 276,25 -4,082 362,428 3,3145 5 2 0 -2,2833 0,31756076674725 BBB+ HIA+ Caco2-
DB07946 mol2, pdbqt 323,9 -3,764 443,856 1,6511 7 5 0 -2,6869 0,385659143390773 BBB+ HIA+ Caco2-
DB07947 mol2, pdbqt 312,1 -3,745 419,932 2,3434 6 2 0 1,4724 0,671827676322358 BBB+ HIA+ Caco2-
DB07949 mol2, pdbqt 246,88 -2,692 335,318 0,5417 7 1 0 2,7781 0,865439765732811 BBB+ HIA+ Caco2-
DB07950 mol2, pdbqt 135,29 -2,119 175,186 1,1822 3 2 0 0,29202 0,161916552685509 BBB+ HIA+ Caco2-
DB07951 mol2, pdbqt 214,86 -2,009 290,274 -0,1967 7 4 0 -7,8692 0,468700430247761 BBB+ HIA+ Caco2-
DB07952 mol2, pdbqt 178,26 -1,886 232,238 0,2659 5 3 0 -2,6934 0,508088956533271 BBB+ HIA+ Caco2-
DB07953 mol2, pdbqt 214,02 -2,694 274,319 1,2979 5 3 0 -7,2633 0,457180770216442 BBB+ HIA+ Caco2-
DB07954 mol2, pdbqt 167,23 -2,211 222,247 0,7678 6 1 0 -1,1663 0,586265625788964 BBB+ HIA+ Caco2-
DB07955 mol2, pdbqt 188,98 -2,965 286,124 1,5933 4 1 0 -10,196 9,65591462700641E-02 BBB+ HIA+ Caco2+
DB07956 mol2, pdbqt 273,35 -4,695 354,833 3,3677 6 2 0 -65,709 0,267801887479141 BBB+ HIA+ Caco2-
DB07957 mol2, pdbqt 198,4 -1,673 267,236 -0,207 7 2 0 -1,7795 0,117624996654916 BBB+ HIA+ Caco2-
DB07958 mol2, pdbqt 215,1 -2,97 274,319 1,5355 5 3 0 -0,51722 0,617169692256804 BBB+ HIA+ Caco2-
DB07959 mol2, pdbqt 178,88 -3,738 234,261 2,2037 4 2 0 1,796 0,786712505445783 BBB+ HIA+ Caco2-
DB07960 mol2, pdbqt 204,91 -1,364 273,284 -0,5241 7 3 0 -0,34348 0,675483439753374 BBB- HIA- Caco2-
DB07961 mol2, pdbqt 275,27 -5,063 363,271 3,6362 4 3 0 -3,87 0,312485436060412 BBB+ HIA+ Caco2+
Page 
 of 344
Records 5581 to 5600 of 6870
These data are only available for scientific research purposes.