• Drug Bank
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Records 4341 to 4360 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
DB05039 mol2, pdbqt 81,59 -4,424 392,497 2,8149 5 4 0 1,9926 0,652919608309545 BBB+ HIA+ Caco2-
DB05109 mol2, pdbqt 194,02 -5,064 761,846 4,527 14 4 2 5,6149 6,73123975203564E-02 BBB- HIA- Caco2-
DB05219 mol2, pdbqt 62,48 -2,785 251,048 1,8538 4 1 0 -16,402 0,363536426408547 BBB+ HIA+ Caco2-
DB05239 mol2, pdbqt 64,6 -5,44 531,311 3,6217 5 3 1 1,8619 0,410717730434196 BBB+ HIA+ Caco2-
DB05245 mol2, pdbqt 106,35 -2,292 250,281 0,0877 6 2 0 4,0925 0,934512682610838 BBB+ HIA+ Caco2+
DB05246 mol2, pdbqt 37,38 -1,979 203,24 1,0394 3 0 0 3,9267 0,945040571100876 BBB+ HIA+ Caco2+
DB05260 mol2, pdbqt 66,05 -1,108 63,0119 -0,8585 4 1 0 -5,509 0,494986762389722 BBB+ HIA+ Caco2-
DB05265 mol2, pdbqt 100,05 -3,44 380,503 2,2097 5 2 0 -4,3717 0,243424625352664 BBB+ HIA+ Caco2-
DB05266 mol2, pdbqt 34,37 -3,397 230,31 2,0652 3 0 0 1,7942 0,488254061131532 BBB+ HIA+ Caco2+
DB05271 mol2, pdbqt 51,71 -3,658 315,48 4,4143 2 1 0 4,295 0,695167436679876 BBB+ HIA+ Caco2+
DB05273 mol2, pdbqt 275,84 1,918 436,123 -17,124 14 8 2 -21,614 0,420484134544035 BBB+ HIA- Caco2-
DB05294 mol2, pdbqt 59,51 -5,639 475,361 4,6769 6 1 0 2,6088 0,403781469633131 BBB+ HIA+ Caco2+
DB05351 mol2, pdbqt 87,08 -3,399 369,366 2,7087 5 1 0 -8,6384 0,399371422401613 BBB+ HIA+ Caco2+
DB05381 mol2, pdbqt 54,7 -0,527 111,147 -0,6912 3 2 0 1,114 0,311749866833828 BBB+ HIA+ Caco2-
DB05389 mol2, pdbqt 37,3 0,056 68,4589 -1,8166 2 1 0 -2,5375 0,153545979103229 BBB+ HIA+ Caco2+
DB05528 mol2, pdbqt 3226,9 -29,408 7177,21 -30,881 189 58 3 -13,262 2,88000500938654E-02 ---- ---- ----
DB05541 mol2, pdbqt 63,4 -1,674 212,292 0,8132 4 1 0 4,1665 0,571800578371953 BBB+ HIA+ Caco2-
DB05630 mol2, pdbqt 260,59 4,77 679,794 -6,1976 17 8 3 -1,4155 0,263839415084406 BBB+ HIA- Caco2-
DB05676 mol2, pdbqt 130,95 -3,234 460,506 1,123 9 1 0 -1,1631 0,459054276050398 BBB+ HIA+ Caco2-
DB05812 mol2, pdbqt 33,12 -4,343 349,516 4,1835 2 1 0 0,30876 0,514474145740299 BBB+ HIA+ Caco2+
Page 
 of 344
Records 4341 to 4360 of 6870
These data are only available for scientific research purposes.