• Drug Bank
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 of 344
Records 2921 to 2940 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
DB03316 mol2, pdbqt 75,04 -0,372 88,1055 -0,276 2 0 0 -13,655 6,40945916175969E-02 BBB+ HIA+ Caco2+
DB03317 mol2, pdbqt 452,32 -9,008 684,661 4,9677 8 2 1 -2,5499 0,113002289906823 BBB+ HIA+ Caco2-
DB03318 mol2, pdbqt 234,78 1,138 361,25 -5,2439 12 5 1 -18,331 0,459723041964416 BBB+ HIA- Caco2-
DB03319 mol2, pdbqt 175,31 -2,051 227,239 -2,9788 6 2 0 -12,062 0,382860700137749 BBB- HIA+ Caco2-
DB03320 mol2, pdbqt 65,63 0,025 105,116 -6,0424 4 3 0 -7,0402 0,297981887473076 BBB- HIA+ Caco2-
DB03321 mol2, pdbqt 204,22 -0,445 290,271 -5,3692 9 6 1 -0,61008 0,647377842397101 BBB- HIA- Caco2-
DB03322 mol2, pdbqt 212,71 -3,574 259,348 2,4155 3 2 0 7,0483 0,848107407693221 BBB- HIA+ Caco2+
DB03323 mol2, pdbqt 219,82 0,551 342,296 -4,4579 11 8 2 -7,6104 0,279940466299753 BBB+ HIA- Caco2-
DB03325 mol2, pdbqt 343,61 -3,294 509,499 -1,7502 15 6 3 -6,9891 0,339728757374398 BBB+ HIA+ Caco2-
DB03326 mol2, pdbqt 367,6 -0,598 556,428 -4,6521 18 8 3 -29,848 0,33219172682905 BBB+ HIA+ Caco2-
DB03327 mol2, pdbqt 237,31 1,644 356,207 -8,5484 10 6 1 -24,837 0,461908726956646 BBB- HIA- Caco2-
DB03328 mol2, pdbqt 48,69 -0,53 161,012 0,6634 2 0 0 -2,4104 0,530156763249871 BBB+ HIA+ Caco2-
DB03329 mol2, pdbqt 87,88 -1,69 111,168 0,6971 1 0 0 -4,1306 0,493322278297528 BBB+ HIA+ Caco2+
DB03330 mol2, pdbqt 347,93 -2,294 570,356 -2,5465 12 7 3 -11,667 0,201534575531569 BBB+ HIA- Caco2-
DB03331 mol2, pdbqt 419,48 -6,782 570,604 2,6841 12 4 2 2,0288 0,200693375056131 BBB+ HIA+ Caco2-
DB03332 mol2, pdbqt 146,15 -2,903 223,191 -1,7388 8 3 0 -0,44237 0,645708962718971 BBB+ HIA+ Caco2-
DB03333 mol2, pdbqt 247,75 -3,591 342,463 2,3598 5 2 0 2,4232 0,781427936295589 BBB+ HIA+ Caco2-
DB03335 mol2, pdbqt 77 -1,398 138,992 0,7701 1 1 0 -9,9537 0,10512109768818 BBB+ HIA+ Caco2+
DB03336 mol2, pdbqt 306,26 -3,753 439,389 1,1611 8 2 0 -4,9429 0,370529899517258 BBB- HIA+ Caco2-
DB03337 mol2, pdbqt 272,28 -5,21 346,389 2,8849 6 4 0 0,3347 0,505018495314053 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2921 to 2940 of 6870
These data are only available for scientific research purposes.