• Drug Bank
Page 
 of 344
Records 221 to 240 of 6870
 
Molecule Name
Download
TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB00338 mol2, pdbqt 96,31 -2,721 345,422 2,092 6 1 0 -1,8775 0,490475517295124 BBB- HIA+ Caco2+
DB00339 mol2, pdbqt 68,87 -0,139 123,115 -1,2009 4 1 0 -0,67966 0,142852976600882 BBB+ HIA+ Caco2+
DB00340 mol2, pdbqt 28,54 -4,177 309,476 4,6551 1 0 0 4,6685 0,637785529149259 BBB+ HIA+ Caco2+
DB00341 mol2, pdbqt 53,01 -2,391 388,894 0,8672 5 1 0 4,3857 0,852880854518712 BBB+ HIA+ Caco2-
DB00343 mol2, pdbqt 84,38 -3,408 414,524 2,4906 6 0 0 7,5036 0,764557671278037 BBB+ HIA+ Caco2+
DB00344 mol2, pdbqt 12,03 -4,343 263,383 3,6848 1 1 0 0,82069 0,610882614477013 BBB+ HIA+ Caco2+
DB00345 mol2, pdbqt 92,42 -1,472 194,189 -0,4489 5 3 0 -3,5775 0,498906524188376 BBB+ HIA+ Caco2-
DB00346 mol2, pdbqt 111,83 -3,779 389,454 1,0512 9 2 0 4,228 0,780049717388524 BBB+ HIA+ Caco2-
DB00347 mol2, pdbqt 46,61 -1,019 143,141 -0,0966 4 0 0 -8,2963 0,294402459793892 BBB+ HIA+ Caco2+
DB00348 mol2, pdbqt 97,03 -4,168 329,229 1,3848 6 0 0 -17,563 0,394747080927654 BBB+ HIA+ Caco2-
DB00349 mol2, pdbqt 40,62 -4,824 300,744 2,8865 4 0 0 0,17752 0,540274007808565 BBB+ HIA+ Caco2+
DB00350 mol2, pdbqt 93,63 -5,461 209,252 0,0012001 6 2 0 -0,77015 0,448127757678447 BBB+ HIA+ Caco2+
DB00351 mol2, pdbqt 60,44 -4,274 370,487 3,4048 4 0 0 1,6588 0,386152802065899 BBB+ HIA+ Caco2+
DB00352 mol2, pdbqt 111,18 -1,937 167,196 -1,0838 5 3 0 1,0787 0,844940570131143 BBB+ HIA+ Caco2-
DB00353 mol2, pdbqt 68,36 -2,512 339,438 1,3291 5 3 0 8,0208 0,320114701048276 BBB+ HIA+ Caco2-
DB00354 mol2, pdbqt 6,48 -5,178 433,037 6,6827 2 0 1 2,6507 0,275293743368494 BBB+ HIA+ Caco2+
DB00355 mol2, pdbqt 212,18 -1,45 436,445 -2,6616 13 4 1 8,4371 0,828939712334338 BBB- HIA- Caco2-
DB00356 mol2, pdbqt 38,33 -3,252 169,567 1,7076 3 1 0 -9,1831 0,450446754641912 BBB+ HIA+ Caco2+
DB00357 mol2, pdbqt 72,19 -2,957 232,282 0,9056 4 2 0 3,6633 0,325923475942163 BBB+ HIA+ Caco2+
DB00358 mol2, pdbqt 45,15 -4,376 378,315 3,5076 3 2 0 -7,4751 0,203860394958032 BBB+ HIA+ Caco2-
Page 
 of 344
Records 221 to 240 of 6870
These data are only available for scientific research purposes.