• Drug Bank
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 of 344
Records 3421 to 3440 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
DB03869 mol2, pdbqt 283,85 -1,948 433,401 -3,7731 15 6 2 -11,16 0,412891258898052 BBB+ HIA+ Caco2-
DB03870 mol2, pdbqt 182,12 0,293 282,244 -3,3458 9 6 1 -2,3385 0,524038142118999 BBB+ HIA- Caco2-
DB03871 mol2, pdbqt 301,55 -6,571 484,548 1,3029 6 0 0 1,4171 0,403924729868593 BBB+ HIA+ Caco2+
DB03872 mol2, pdbqt 99,98 -1,054 132,158 0,0101 3 2 0 0,35157 0,778633469443611 BBB+ HIA+ Caco2+
DB03874 mol2, pdbqt 396,79 -4,987 413,731 11,13 1 0 1 0,502 0,265573559264544 BBB+ HIA+ Caco2+
DB03876 mol2, pdbqt 131,06 -2,166 178,239 0,4646 3 2 0 0,96 0,824616852269135 BBB+ HIA+ Caco2-
DB03877 mol2, pdbqt 245,2 -0,602 369,486 -0,162 8 2 0 4,8936 0,902112324411914 BBB+ HIA+ Caco2-
DB03878 mol2, pdbqt 300,51 -4,505 382,426 3,2361 7 2 0 0,6681 0,562835736269747 BBB+ HIA+ Caco2+
DB03879 mol2, pdbqt 126,07 -0,384 178,183 -1,2662 5 3 0 -1,6055 0,574223193638347 BBB- HIA- Caco2+
DB03880 mol2, pdbqt 368,49 -4,67 477,648 2,867 7 4 0 5,9516 0,585944327684491 BBB- HIA+ Caco2-
DB03881 mol2, pdbqt 205,47 -1,549 297,358 -0,7072 7 5 0 0,73906 0,790852837300638 BBB- HIA+ Caco2-
DB03882 mol2, pdbqt 216,38 -4,274 292,461 3,457 2 2 0 0,24997 0,573365132732773 BBB+ HIA+ Caco2+
DB03883 mol2, pdbqt 263,04 -1,134 386,316 -3,293 13 7 2 4,4856 0,883944645472816 BBB- HIA+ Caco2-
DB03884 mol2, pdbqt 128,87 -1,516 164,16 0,5442 3 1 0 -9,8872 0,485479240420525 BBB+ HIA+ Caco2+
DB03885 mol2, pdbqt 334,51 -4,023 447,511 -1,6587 9 5 0 -12,612 0,171070450142421 BBB+ HIA+ Caco2-
DB03886 mol2, pdbqt 167,94 -1,107 237,218 -2,2843 8 4 0 0,99021 0,838112938397517 BBB+ HIA+ Caco2-
DB03887 mol2, pdbqt 221,29 -0,745 347,223 -5,1538 12 5 1 -20,615 7,98807445614116E-02 BBB+ HIA- Caco2-
DB03888 mol2, pdbqt 339,89 -5,526 456,426 5,6368 4 0 1 -6,6388 0,188048516391808 BBB+ HIA+ Caco2+
DB03889 mol2, pdbqt 340,28 -2,112 523,36 -2,2584 12 7 3 -13,922 0,222745674513954 BBB+ HIA- Caco2-
DB03890 mol2, pdbqt 307,79 -2,459 399,554 1,3646 7 1 0 0,81502 0,427431739170511 BBB+ HIA+ Caco2-
Page 
 of 344
Records 3421 to 3440 of 6870
These data are only available for scientific research purposes.