• Drug Bank
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 of 344
Records 1921 to 1940 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
DB02241 mol2, pdbqt 331,46 -4,223 455,469 2,9254 8 3 0 4,1594 0,148274566942662 BBB+ HIA+ Caco2-
DB02242 mol2, pdbqt 132,92 -2,325 156,224 1,9538 2 1 0 -5,9398 0,470375907501896 BBB+ HIA+ Caco2+
DB02243 mol2, pdbqt 451,46 -4,645 582,763 3,3692 9 2 1 -6,6839 0,23177545364184 BBB+ HIA+ Caco2-
DB02245 mol2, pdbqt 108,64 -2,894 150,141 -0,8682 5 2 0 3,7642 0,92679966812704 BBB+ HIA+ Caco2-
DB02247 mol2, pdbqt 249,76 -2,174 356,422 -1,5714 7 4 0 -0,59184 0,60878778665915 BBB- HIA- Caco2-
DB02248 mol2, pdbqt 134,01 -0,23 209,221 -3,796 6 3 0 2,5219 0,944513665045718 BBB+ HIA- Caco2-
DB02249 mol2, pdbqt 83,39 -0,398 90,1214 -0,042 2 1 0 -3,8765 6,53381786284882E-02 BBB+ HIA+ Caco2+
DB02250 mol2, pdbqt 454,56 0,108 623,837 -2,358 8 0 1 1,2458 0,524346147143999 BBB+ HIA+ Caco2-
DB02251 mol2, pdbqt 166,73 -2,328 222,195 0,6484 5 2 0 -1,8142 0,538693129698236 BBB+ HIA+ Caco2+
DB02252 mol2, pdbqt 99,54 -2,632 204,006 2,0967 0 0 0 -0,71324 0,610823456994222 BBB+ HIA+ Caco2+
DB02253 mol2, pdbqt 390,47 -4,593 434,661 9,1574 2 2 1 -1,1372 0,212889568080402 BBB+ HIA+ Caco2+
DB02254 mol2, pdbqt 269,48 0,385 397,293 -4,1244 8 1 0 -9,3244 0,265539861109391 BBB+ HIA- Caco2+
DB02255 mol2, pdbqt 306,97 -3,406 388,466 1,0424 8 5 0 5,1399 0,810413132230499 BBB+ HIA+ Caco2-
DB02256 mol2, pdbqt 157,98 -0,99 228,203 -1,6911 7 3 0 -0,31716 0,442192843766793 BBB+ HIA+ Caco2-
DB02257 mol2, pdbqt 146,43 1,067 261,995 -3,5504 6 2 0 -16,817 0,48579833706929 BBB+ HIA- Caco2-
DB02258 mol2, pdbqt 304,92 -8,116 401,504 6,1493 4 2 1 -4,4955 0,144264207957199 BBB+ HIA+ Caco2+
DB02259 mol2, pdbqt 381,59 -8,006 658,343 4,2225 9 3 1 2,0732 0,188276824947806 BBB- HIA+ Caco2-
DB02260 mol2, pdbqt 175,77 -1,746 216,232 1,0068 5 2 0 -11,808 0,478452702319256 BBB+ HIA+ Caco2-
DB02261 mol2, pdbqt 453,66 -2,592 524,697 3,1445 8 1 1 -54,486 0,318773249242592 BBB+ HIA- Caco2-
DB02262 mol2, pdbqt 107,23 -0,983 156,097 -1,6484 6 3 0 -1,5301 0,347262614038516 BBB+ HIA- Caco2-
Page 
 of 344
Records 1921 to 1940 of 6870
These data are only available for scientific research purposes.