• Drug Bank
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Records 781 to 800 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
DB00932 mol2, pdbqt 113,97 -6,354 602,672 5,9823 7 2 2 -6,9229 0,117607534985849 BBB- HIA+ Caco2-
DB00933 mol2, pdbqt 68,06 -4,69 386,582 4,5579 3 0 0 3,6117 0,337203946613322 BBB+ HIA+ Caco2+
DB00934 mol2, pdbqt 12,03 -3,566 277,41 3,7029 1 1 0 0,76465 0,394008254565335 BBB+ HIA+ Caco2+
DB00935 mol2, pdbqt 44,62 -3,34 260,38 2,9779 3 2 0 0,0185 0,634360458322564 BBB- HIA+ Caco2-
DB00936 mol2, pdbqt 57,53 -1,333 138,122 0,799 3 2 0 -1,8442 0,119551921217471 BBB+ HIA+ Caco2+
DB00937 mol2, pdbqt 20,31 -2,401 205,3 1,9962 2 0 0 4,681 0,739989296572621 BBB+ HIA+ Caco2+
DB00938 mol2, pdbqt 81,95 -3,62 415,572 3,9151 5 4 0 -8,9753 0,340657964807495 BBB- HIA+ Caco2-
DB00939 mol2, pdbqt 49,33 -5,023 296,152 4,231 3 2 0 -0,77511 0,238249327636376 BBB+ HIA+ Caco2+
DB00940 mol2, pdbqt 38,77 -3,84 340,441 2,1947 4 0 0 9,9079 0,480348938788601 BBB+ HIA+ Caco2+
DB00941 mol2, pdbqt 6,48 -6,946 502,743 6,0216 2 0 2 -1,2355 0,035106861436611 BBB+ HIA+ Caco2+
DB00942 mol2, pdbqt 23,47 -3,39 287,445 3,8185 2 1 0 3,737 0,770736984286649 BBB+ HIA+ Caco2+
DB00943 mol2, pdbqt 88,15 -1,529 211,22 -1,3304 6 2 0 -6,7723 0,485121561683262 BBB+ HIA+ Caco2-
DB00944 mol2, pdbqt 65,56 -5,096 556,789 4,5856 8 0 1 -6,7645 0,197677913731981 BBB+ HIA- Caco2+
DB00945 mol2, pdbqt 63,6 -1,929 180,159 1,1314 4 1 0 -1,6343 0,120307897384524 BBB+ HIA+ Caco2-
DB00946 mol2, pdbqt 46,53 -3,8 280,322 3,8792 3 1 0 0,2865 0,353334813646582 BBB+ HIA+ Caco2+
DB00947 mol2, pdbqt 76,74 -7,862 606,778 8,6163 3 2 2 -50,389 8,22954290754484E-02 BBB+ HIA+ Caco2-
DB00948 mol2, pdbqt 207,18 -2,527 539,589 0,1838 13 3 2 15,136 0,662140547850385 BBB- HIA- Caco2-
DB00949 mol2, pdbqt 104,64 -2,819 238,242 0,7174 6 2 0 0,89648 0,789495507562424 BBB+ HIA+ Caco2-
DB00950 mol2, pdbqt 81 -4,861 501,665 4,0568 5 3 1 4,8896 0,491376068835509 BBB- HIA+ Caco2+
DB00951 mol2, pdbqt 68,01 -1,187 137,142 -1,0181 4 2 0 -5,7809 6,38117170981222E-02 BBB+ HIA+ Caco2+
Page 
 of 344
Records 781 to 800 of 6870
These data are only available for scientific research purposes.