• Drug Bank
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Records 2341 to 2360 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
DB02695 mol2, pdbqt 188,96 -0,987 250,29 -0,4234 6 4 0 -12,507 0,482709531466156 BBB+ HIA- Caco2-
DB02696 mol2, pdbqt 338,15 0,497 503,336 -7,726 15 6 3 -40,204 0,371737454574341 BBB- HIA- Caco2-
DB02697 mol2, pdbqt 107,1 -1,111 132,162 -1,106 4 3 0 -5,9228 0,49279111405793 BBB+ HIA+ Caco2-
DB02698 mol2, pdbqt 277,24 -7,807 415,322 4,2628 6 2 0 -7,3195 9,22442365699553E-02 BBB+ HIA+ Caco2-
DB02699 mol2, pdbqt 262,43 -3,148 300,44 5,4619 2 1 1 -0,70108 0,247371011421662 BBB+ HIA+ Caco2+
DB02700 mol2, pdbqt 115,09 -0,224 163,172 -2,1665 5 4 0 0,0188 0,742453180846098 BBB- HIA- Caco2-
DB02701 mol2, pdbqt 55,98 -0,91 122,127 -0,254 3 1 0 -0,67966 0,394461878060957 BBB+ HIA+ Caco2+
DB02702 mol2, pdbqt 562,47 -7,956 758,922 6,8511 11 4 3 5,0515 0,154874048613821 BBB- HIA- Caco2-
DB02703 mol2, pdbqt 104,06 -5,363 516,716 5,823 6 3 2 0,050693 0,151388659949419 BBB+ HIA+ Caco2-
DB02704 mol2, pdbqt 492,14 -6,086 648,797 5,1848 8 6 3 -0,14959 0,15229126244087 BBB+ HIA- Caco2-
DB02705 mol2, pdbqt 300,66 -4,729 386,497 3,6626 5 4 0 1,858 0,58805462691323 BBB+ HIA+ Caco2-
DB02706 mol2, pdbqt 322,42 -4,846 429,524 2,0378 8 1 0 -1,8288 0,362934799445534 BBB+ HIA+ Caco2-
DB02707 mol2, pdbqt 167,39 1,369 248,107 -4,2878 7 3 0 -37,302 0,487957081427381 BBB+ HIA- Caco2-
DB02709 mol2, pdbqt 178,57 -2,864 228,246 2,8295 3 3 0 -1,6732 0,183858716330576 BBB+ HIA+ Caco2+
DB02710 mol2, pdbqt 171,88 -0,675 241,198 -1,0304 7 5 0 -2,6263 0,518257230127282 BBB- HIA+ Caco2-
DB02711 mol2, pdbqt 298,12 -0,415 454,328 -5,7802 15 8 2 -13,953 0,325084026139267 BBB- HIA- Caco2-
DB02712 mol2, pdbqt 158,96 -2,714 236,201 0,7367 5 2 0 2,451 0,891234715796074 BBB+ HIA+ Caco2-
DB02713 mol2, pdbqt 92,83 -0,226 117,104 -1,2154 4 2 0 -1,1482 0,614107611089867 BBB+ HIA+ Caco2-
DB02714 mol2, pdbqt 203,3 0,925 324,181 -5,8806 11 5 1 -20,406 0,472329092074058 BBB+ HIA- Caco2-
DB02715 mol2, pdbqt 344,83 -4,693 463,596 5,2494 5 2 1 4,8876 0,290377912615486 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2341 to 2360 of 6870
These data are only available for scientific research purposes.