• Drug Bank
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Records 141 to 160 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
DB00254 mol2, pdbqt 181,62 -1,932 444,439 -1,1715 10 6 1 4,7381 0,807565818197336 BBB- HIA+ Caco2-
DB00255 mol2, pdbqt 40,46 -3,158 268,355 4,5248 2 2 0 -0,78736 0,103639830033034 BBB- HIA+ Caco2+
DB00256 mol2, pdbqt 242,98 -2,591 602,639 -6,2313 14 9 3 -10,552 0,293837852781907 BBB- HIA- Caco2-
DB00257 mol2, pdbqt 17,82 -7,716 344,844 5,3668 2 0 1 2,0579 0,329259789209251 BBB+ HIA+ Caco2+
DB00258 mol2, pdbqt 37,3 -0,459 60,0518 -0,2991 2 1 0 -2,2628 0,116966257604514 BBB+ HIA+ Caco2+
DB00259 mol2, pdbqt 94,56 -1,591 172,208 -0,2537 4 2 0 2,1586 0,199086286872051 BBB+ HIA+ Caco2+
DB00260 mol2, pdbqt 64,35 -0,531 102,093 -2,0834 4 2 0 -0,86671 0,64133447152161 BBB+ HIA+ Caco2-
DB00261 mol2, pdbqt 44,7 -3,323 256,092 1,3365 4 1 0 4,1951 0,880030496394737 BBB+ HIA+ Caco2+
DB00262 mol2, pdbqt 61,77 -1,665 214,051 0,9193 5 1 0 2,763 0,120644736618947 BBB+ HIA+ Caco2-
DB00263 mol2, pdbqt 106,6 -3,359 267,308 0,7849 6 2 0 4,5181 0,190303349162127 BBB+ HIA+ Caco2-
DB00264 mol2, pdbqt 50,72 -2,092 267,368 1,4818 4 2 0 6,6921 0,931778420407905 BBB- HIA+ Caco2+
DB00265 mol2, pdbqt 20,31 -2,89 203,284 3,0195 2 0 0 -0,78472 0,345255273859891 BBB+ HIA+ Caco2+
DB00266 mol2, pdbqt 93,06 -3,34 336,298 2,588 6 2 0 0,23903 0,516509524974644 BBB+ HIA+ Caco2-
DB00267 mol2, pdbqt 269,65 -3,36 511,567 -0,3745 14 3 2 16,375 0,671607807445947 BBB- HIA- Caco2-
DB00268 mol2, pdbqt 32,34 -2,773 260,38 2,5433 3 1 0 4,0982 0,882119073338245 BBB+ HIA+ Caco2+
DB00270 mol2, pdbqt 103,55 -3,089 371,392 3,192 8 1 0 1,954 0,446333912222017 BBB- HIA+ Caco2+
DB00271 mol2, pdbqt 95,5 -5,361 613,902 1,8634 6 3 1 1,1157 0,218529761144107 BBB+ HIA- Caco2+
DB00272 mol2, pdbqt 54,7 -0,285 111,147 -0,9578 3 2 0 3,0559 0,967393949323017 BBB+ HIA+ Caco2-
DB00273 mol2, pdbqt 123,92 -1,705 339,364 -0,9727 9 1 0 -2,4806 0,494765246541865 BBB+ HIA+ Caco2-
DB00274 mol2, pdbqt 239,23 -2,398 471,542 -0,6756 12 2 1 3,525 0,75270918200807 BBB- HIA- Caco2-
Page 
 of 344
Records 141 to 160 of 6870
These data are only available for scientific research purposes.