• Drug Bank
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Records 901 to 920 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
DB01057 mol2, pdbqt 73,88 0,334 256,326 -0,4347 4 0 0 -20,174 0,104766616582168 BBB+ HIA+ Caco2+
DB01058 mol2, pdbqt 40,62 -2,409 312,412 2,5396 4 0 0 -0,071538 0,392619039113951 BBB+ HIA+ Caco2+
DB01059 mol2, pdbqt 72,88 -2,856 319,335 -1,6498 6 2 0 2,2234 0,854463562552194 BBB- HIA+ Caco2-
DB01060 mol2, pdbqt 158,26 -1,269 365,409 -2,0029 8 4 0 9,3648 0,905874944259793 BBB- HIA- Caco2-
DB01061 mol2, pdbqt 173,45 -2,187 461,498 0,3123 11 4 1 12,87 0,780328696974289 BBB- HIA- Caco2-
DB01062 mol2, pdbqt 49,77 -5,123 357,492 3,4846 4 1 0 0,056717 0,28040382055644 BBB+ HIA+ Caco2+
DB01063 mol2, pdbqt 72,32 -4,111 411,568 3,4301 5 1 0 9,2139 0,408224772108734 BBB+ HIA+ Caco2-
DB01064 mol2, pdbqt 72,72 -1,142 211,26 0,4502 4 4 0 6,2985 0,464961131542064 BBB- HIA+ Caco2-
DB01065 mol2, pdbqt 54,12 -2,429 232,282 1,4722 4 2 0 2,8914 0,196089546996461 BBB+ HIA+ Caco2-
DB01066 mol2, pdbqt 241,88 -3,559 506,587 0,9651 11 3 2 17,39 0,663481981025285 BBB- HIA+ Caco2-
DB01067 mol2, pdbqt 138,53 -3,446 445,542 1,8635 9 3 0 3,385 0,728689335132557 BBB+ HIA+ Caco2-
DB01068 mol2, pdbqt 87,28 -5,156 315,715 1,7047 6 1 0 -2,3195 0,222938411113529 BBB+ HIA+ Caco2+
DB01069 mol2, pdbqt 31,78 -4,173 284,426 3,9058 2 0 0 6,0737 0,205849698954965 BBB+ HIA+ Caco2+
DB01070 mol2, pdbqt 20,23 -6,024 398,672 7,6685 1 1 1 -3,1667 9,30412700582282E-02 BBB+ HIA+ Caco2+
DB01071 mol2, pdbqt 31,78 -4,887 322,475 4,6748 2 0 0 5,6708 0,205498628544859 BBB+ HIA+ Caco2+
DB01072 mol2, pdbqt 171,22 -6,074 704,866 3,3709 13 5 2 -16,542 0,155322978154395 BBB- HIA+ Caco2-
DB01073 mol2, pdbqt 139,54 -2,91 285,234 -1,2693 9 4 0 -2,2482 0,498857417468805 BBB+ HIA+ Caco2-
DB01074 mol2, pdbqt 12,03 -4,855 277,494 4,8845 1 1 0 -1,5441 0,334046012262921 BBB+ HIA+ Caco2+
DB01075 mol2, pdbqt 12,47 -2,311 255,36 2,9058 2 0 0 4,6945 0,319676377792448 BBB+ HIA+ Caco2+
DB01076 mol2, pdbqt 111,79 -6,92 558,648 5,6217 7 4 2 4,4511 0,151048006965374 BBB- HIA+ Caco2-
Page 
 of 344
Records 901 to 920 of 6870
These data are only available for scientific research purposes.