• Drug Bank
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 of 344
Records 3501 to 3520 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
DB03952 mol2, pdbqt 195,91 -2,47 280,283 -0,6565 8 3 0 -1,4484 0,553055209990148 BBB- HIA+ Caco2-
DB03953 mol2, pdbqt 147,25 -1,943 191,254 -3,0533 5 3 0 -14,285 0,482826610573409 BBB+ HIA- Caco2-
DB03955 mol2, pdbqt 114,38 0,201 163,172 -2,4138 5 5 0 3,055 0,966116217625566 BBB- HIA+ Caco2-
DB03956 mol2, pdbqt 233,46 4,984 420,092 -12,792 15 9 2 -19,112 0,430715235000471 BBB+ HIA- Caco2-
DB03957 mol2, pdbqt 397,95 -4,87 534,49 2,7303 9 5 1 2,862 0,496703469450549 BBB- HIA+ Caco2-
DB03958 mol2, pdbqt 495,31 1,357 803,443 -10,852 28 13 3 -27,576 0,256165010579304 BBB+ HIA- Caco2-
DB03959 mol2, pdbqt 196,63 2,151 339,297 -5,9354 12 6 2 1,5616 0,854989528552185 BBB- HIA- Caco2-
DB03960 mol2, pdbqt 326,73 -4,299 449,505 2,8899 8 4 0 1,9203 0,140152868199451 BBB- HIA+ Caco2-
DB03961 mol2, pdbqt 165,63 1,927 278,089 -5,5364 9 4 0 -31,221 0,483457472464698 BBB+ HIA+ Caco2-
DB03962 mol2, pdbqt 484,6 0,86 823,311 -9,7403 24 10 3 -34,78 0,254696943974197 BBB+ HIA- Caco2-
DB03963 mol2, pdbqt 121,14 -0,996 225,143 -1,6 3 2 0 -6,5171 0,112223349269781 BBB+ HIA+ Caco2-
DB03964 mol2, pdbqt 129,36 0,284 190,107 -2,1561 7 4 0 2,5158 0,758758962356249 BBB+ HIA+ Caco2-
DB03966 mol2, pdbqt 499,89 -5,987 697,135 4,7728 13 5 2 2,336 0,205428961233801 BBB- HIA+ Caco2-
DB03967 mol2, pdbqt 222,05 -2,031 266,4 2,9797 4 1 0 -20,926 0,446108497677415 BBB+ HIA+ Caco2-
DB03968 mol2, pdbqt 102,76 -0,962 127,186 0,7119 2 0 0 2,6103 0,945548790372694 BBB+ HIA+ Caco2+
DB03970 mol2, pdbqt 247,12 -1,84 363,417 0,6165 7 2 0 1,3996 0,805959202209049 BBB- HIA+ Caco2-
DB03971 mol2, pdbqt 622,88 1,186 969,886 -10,851 29 20 3 -8,6554 0,250672274368521 BBB- HIA- Caco2-
DB03972 mol2, pdbqt 127,12 -1,815 183,23 1,4208 3 2 0 0,19505 0,740441747166077 BBB+ HIA+ Caco2-
DB03973 mol2, pdbqt 286,5 -0,124 440,301 -5,7876 15 8 2 -14,392 0,416366827374074 BBB- HIA- Caco2-
DB03974 mol2, pdbqt 153,95 -0,426 188,23 -2,9833 6 5 0 -14,532 0,491599461190545 BBB+ HIA+ Caco2-
Page 
 of 344
Records 3501 to 3520 of 6870
These data are only available for scientific research purposes.