• Drug Bank
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 of 344
Records 2101 to 2120 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
DB02435 mol2, pdbqt 88,31 -1,879 114,211 0,9968 1 1 0 -6,1041 0,48378158368025 BBB+ HIA+ Caco2+
DB02436 mol2, pdbqt 417,74 -4,082 543,571 1,2337 12 6 3 -8,4612 0,290835661945127 BBB- HIA+ Caco2-
DB02437 mol2, pdbqt 145,23 -1,188 176,215 -2,4193 5 4 0 -11,668 0,150366403630294 BBB+ HIA+ Caco2-
DB02438 mol2, pdbqt 143,93 0,367 194,182 -2,7491 6 4 0 1,1901 0,870190039109592 BBB- HIA+ Caco2-
DB02441 mol2, pdbqt 160,05 -1,414 208,22 -0,733 6 3 0 -1,8489 0,551251385348494 BBB+ HIA+ Caco2-
DB02442 mol2, pdbqt 91,71 -0,224 200,052 -4,3834 5 2 0 -12,034 0,491266981778562 BBB- HIA- Caco2-
DB02443 mol2, pdbqt 345,71 -2,031 485,512 -4,1667 12 5 1 -1,6289 0,224316144165601 BBB- HIA- Caco2-
DB02445 mol2, pdbqt 171,41 2,05 261,166 -8,5142 9 7 1 -24,747 0,486323914595616 BBB- HIA- Caco2-
DB02446 mol2, pdbqt 121,7 -0,696 162,144 -3,873 6 4 0 -17,622 0,492397320618957 BBB+ HIA- Caco2-
DB02447 mol2, pdbqt 159,79 -0,119 264,189 -4,3685 10 6 1 0,26264 0,757933176583886 BBB+ HIA- Caco2-
DB02448 mol2, pdbqt 201,22 -3,429 214,347 4,6993 2 1 0 -25,216 0,354129454063093 BBB+ HIA+ Caco2+
DB02449 mol2, pdbqt 371,69 -5,207 503,621 4,333 7 3 1 6,7411 0,44752061412223 BBB+ HIA+ Caco2-
DB02450 mol2, pdbqt 254 -3,775 342,346 2,7652 6 2 0 -1,1098 0,491895731949486 BBB+ HIA+ Caco2-
DB02452 mol2, pdbqt 288,81 2,618 482,167 -9,4101 16 6 2 -25,989 0,388228452385836 BBB+ HIA- Caco2-
DB02453 mol2, pdbqt 39,3 3,28 172,781 0 3 3 0 -2,5375 0,423682774702599 BBB+ HIA+ Caco2-
DB02454 mol2, pdbqt 202,44 -0,874 317,197 -4,5518 11 4 1 -16,675 0,471129018968939 BBB+ HIA+ Caco2-
DB02455 mol2, pdbqt 314,66 -5,752 434,471 3,3567 7 3 0 -0,23515 0,177051637048411 BBB- HIA+ Caco2-
DB02456 mol2, pdbqt 205,86 1,745 323,197 -5,7562 11 6 2 -20,103 0,472963935859425 BBB+ HIA- Caco2-
DB02457 mol2, pdbqt 248,39 -4,433 276,399 5,6643 2 0 1 -38,181 0,159333592620628 BBB+ HIA+ Caco2+
DB02458 mol2, pdbqt 333,27 -2,965 473,418 -5,0185 15 5 1 -23,514 0,37194778358055 BBB+ HIA- Caco2-
Page 
 of 344
Records 2101 to 2120 of 6870
These data are only available for scientific research purposes.