• Drug Bank
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Records 41 to 60 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
DB00150 mol2, pdbqt 79,11 -2,066 204,228 -1,5098 4 3 0 -10,243 0,480226096575501 BBB+ HIA+ Caco2-
DB00151 mol2, pdbqt 102,12 -1,063 121,16 -3,0583 3 2 0 -11,18 0,492546363101923 BBB+ HIA+ Caco2-
DB00152 mol2, pdbqt 105,2 -0,761 265,36 0,5844 5 2 0 1,1264 0,50501057664637 BBB+ HIA+ Caco2+
DB00153 mol2, pdbqt 20,23 -5,927 396,656 7,6423 1 1 1 -5,8133 0,121887015434529 BBB+ HIA+ Caco2+
DB00154 mol2, pdbqt 37,3 -4,635 306,488 7,1235 2 1 1 -25,561 0,210193399674423 BBB+ HIA+ Caco2+
DB00155 mol2, pdbqt 118,44 -0,976 175,187 -3,6211 6 4 0 -12,666 0,490638203604437 BBB+ HIA+ Caco2-
DB00156 mol2, pdbqt 83,55 -0,277 119,119 -3,5585 4 3 0 -12,838 0,495201054498897 BBB- HIA+ Caco2-
DB00158 mol2, pdbqt 208,99 -3,182 441,403 -1,9551 13 6 2 -9,0275 0,387946335665812 BBB+ HIA+ Caco2-
DB00159 mol2, pdbqt 37,3 -4,179 302,456 6,6191 2 1 1 -14,291 0,236278629025517 BBB+ HIA+ Caco2+
DB00160 mol2, pdbqt 63,32 -0,406 89,0936 -2,9911 3 2 0 -3,896 0,505502316312034 BBB+ HIA+ Caco2-
DB00161 mol2, pdbqt 63,32 -0,836 117,147 -2,3184 3 2 0 -15,719 0,493526606898557 BBB+ HIA+ Caco2-
DB00162 mol2, pdbqt 20,23 -3,496 286,457 6,1703 1 1 1 -3,4867 0,27907532410741 BBB+ HIA+ Caco2+
DB00163 mol2, pdbqt 29,46 -7,196 430,714 9,6438 2 1 1 -3,2757 0,1220570341003 BBB+ HIA+ Caco2+
DB00165 mol2, pdbqt 73,58 -0,661 169,179 -0,4837 4 3 0 -1,934 0,331918491899431 BBB+ HIA+ Caco2-
DB00166 mol2, pdbqt 87,9 -2,855 206,329 2,6294 2 1 0 -9,4356 0,447100608742429 BBB+ HIA+ Caco2-
DB00167 mol2, pdbqt 63,32 -1,106 131,174 -1,864 3 2 0 -10,908 0,491836921576625 BBB+ HIA+ Caco2-
DB00168 mol2, pdbqt 118,72 -1,559 294,306 -2,5002 7 3 0 -1,4751 0,560922082669344 BBB- HIA- Caco2-
DB00169 mol2, pdbqt 20,23 -5,995 384,645 7,6762 1 1 1 -4,8483 0,153221616422335 BBB+ HIA+ Caco2+
DB00170 mol2, pdbqt 34,14 -2,966 172,183 1,8796 2 0 0 -1,5482 0,115944077019293 BBB+ HIA+ Caco2+
DB00172 mol2, pdbqt 49,33 -0,708 115,131 -2,6125 3 2 0 -4,0386 0,502634137046988 BBB+ HIA+ Caco2-
Page 
 of 344
Records 41 to 60 of 6870
These data are only available for scientific research purposes.