• Drug Bank
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Records 181 to 200 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
DB00296 mol2, pdbqt 32,34 -3,373 274,406 3,2567 3 1 0 3,4549 0,486224039836754 BBB+ HIA+ Caco2+
DB00297 mol2, pdbqt 32,34 -3,643 288,433 3,7111 3 1 0 1,379 0,41627241356297 BBB+ HIA+ Caco2+
DB00298 mol2, pdbqt 37,19 -0,775 325,458 2,867 5 0 0 5,6705 0,887144639282013 BBB+ HIA+ Caco2+
DB00299 mol2, pdbqt 125,76 -1,361 253,261 -1,7513 8 4 0 0,13 0,737368920988098 BBB+ HIA+ Caco2-
DB00300 mol2, pdbqt 195,25 -6,209 519,446 1,0713 15 1 2 -25,362 0,219536009458965 BBB+ HIA+ Caco2-
DB00301 mol2, pdbqt 138,04 -4,365 453,877 2,8046 8 2 0 9,1217 0,308164180621699 BBB- HIA+ Caco2-
DB00302 mol2, pdbqt 63,32 -1,514 157,212 -1,737 3 2 0 -2,5918 0,522340262464945 BBB+ HIA+ Caco2-
DB00303 mol2, pdbqt 181,57 -3,174 475,521 -2,1769 10 5 0 7,1743 0,731350476521832 BBB- HIA+ Caco2-
DB00304 mol2, pdbqt 20,23 -4,998 310,479 4,4895 1 1 0 -4,9007 0,175623930205322 BBB+ HIA+ Caco2+
DB00305 mol2, pdbqt 146,89 -1,378 334,331 -1,8035 9 3 0 4,4964 0,354013313691915 BBB- HIA+ Caco2-
DB00306 mol2, pdbqt 75,27 -2,526 224,259 1,1113 5 2 0 6,7977 0,336315150033763 BBB+ HIA+ Caco2-
DB00307 mol2, pdbqt 37,3 -6,389 348,484 4,799 2 1 0 -7,4049 0,129798253489759 BBB+ HIA+ Caco2+
DB00308 mol2, pdbqt 78,02 -4,271 384,583 3,6846 5 2 0 -6,0149 0,337703215639293 BBB+ HIA+ Caco2-
DB00309 mol2, pdbqt 164,82 -4,617 753,938 1,9884 12 5 2 5,2414 0,405877924473401 BBB- HIA+ Caco2-
DB00310 mol2, pdbqt 117,87 -3,465 338,77 1,951 6 3 0 2,4038 0,479965603171568 BBB+ HIA+ Caco2-
DB00312 mol2, pdbqt 75,27 -2,587 226,275 1,2968 5 2 0 8,2777 0,160731081809976 BBB+ HIA+ Caco2-
DB00313 mol2, pdbqt 37,3 -1,969 144,213 2,1912 2 1 0 -2,6221 0,301951415594718 BBB+ HIA+ Caco2+
DB00314 mol2, pdbqt 378,42 -1,574 668,714 -9,1605 22 14 3 4,4994 0,546511356837204 BBB- HIA+ Caco2-
DB00315 mol2, pdbqt 57,36 -2,576 287,362 1,453 5 2 0 -9,4239 0,455879862970317 BBB+ HIA+ Caco2-
DB00316 mol2, pdbqt 49,33 -1,662 151,164 1,0176 3 2 0 0,44887 0,168105566017048 BBB+ HIA+ Caco2+
Page 
 of 344
Records 181 to 200 of 6870
These data are only available for scientific research purposes.