• Drug Bank
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Records 561 to 580 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
DB00700 mol2, pdbqt 82,2 -4,061 414,496 1,9314 6 0 0 -4,3481 0,221642389842375 BBB+ HIA+ Caco2+
DB00701 mol2, pdbqt 139,57 -3,742 505,634 2,2566 9 3 1 -14,462 0,319778179518223 BBB- HIA+ Caco2+
DB00703 mol2, pdbqt 138,87 -2,669 236,276 0,1901 7 1 0 3,4387 0,918056128680416 BBB+ HIA+ Caco2-
DB00704 mol2, pdbqt 70 -3,192 341,406 1,5768 5 2 0 4,6068 0,851299349540493 BBB+ HIA+ Caco2+
DB00705 mol2, pdbqt 118,81 -4,777 456,569 1,8437 9 3 0 8,1533 0,371914931212812 BBB- HIA+ Caco2-
DB00706 mol2, pdbqt 108,26 -3,467 408,517 2,2607 7 2 0 5,7098 0,771779336963706 BBB+ HIA+ Caco2-
DB00708 mol2, pdbqt 61,02 -3,566 386,558 4,0822 4 0 0 9,2849 0,695720072111777 BBB+ HIA+ Caco2+
DB00709 mol2, pdbqt 113,45 -1,356 229,259 -0,9483 6 2 0 -2,115 0,535853738155491 BBB+ HIA+ Caco2-
DB00710 mol2, pdbqt 158,15 1,065 319,23 -6,6732 8 5 0 -10,533 0,473824224172419 BBB- HIA- Caco2-
DB00711 mol2, pdbqt 26,79 -0,075 199,297 0,8076 4 0 0 9,003 0,7806997766437 BBB+ HIA+ Caco2+
DB00712 mol2, pdbqt 37,3 -4,362 244,264 3,3303 2 1 0 -1,1265 0,463505087713283 BBB+ HIA+ Caco2+
DB00713 mol2, pdbqt 138,04 -3,315 401,442 2,0978 8 2 0 10,422 0,475492154029792 BBB- HIA+ Caco2+
DB00714 mol2, pdbqt 43,7 -3,093 267,327 2,9282 3 2 0 4,7822 0,853962330853314 BBB+ HIA+ Caco2+
DB00715 mol2, pdbqt 39,72 -4,493 329,37 3,9891 4 1 0 -0,38843 0,465812019565044 BBB+ HIA+ Caco2+
DB00716 mol2, pdbqt 121,21 -4,253 371,344 1,3724 8 2 0 0,91471 0,647457720618447 BBB- HIA+ Caco2-
DB00717 mol2, pdbqt 37,3 -4,317 298,424 3,0836 2 1 0 1,8438 0,417588277089961 BBB+ HIA+ Caco2+
DB00718 mol2, pdbqt 176,79 -5,059 501,475 1,2514 13 1 2 -24,979 0,274469306435824 BBB+ HIA+ Caco2-
DB00719 mol2, pdbqt 16,13 -3,143 290,409 3,7052 2 0 0 5,4905 0,799439808364523 BBB+ HIA+ Caco2+
DB00720 mol2, pdbqt 134,68 0,251 244,891 -5,7501 6 4 0 -11,922 8,42469969143808E-02 BBB+ HIA- Caco2-
DB00721 mol2, pdbqt 55,56 -1,856 236,314 1,4077 4 1 0 7,9358 0,56787754978141 BBB+ HIA+ Caco2+
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 of 344
Records 561 to 580 of 6870
These data are only available for scientific research purposes.