• Drug Bank
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 of 344
Records 4681 to 4700 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
DB07001 mol2, pdbqt 163,51 -1,893 210,3 1,7499 3 2 0 0,5599 0,773971754935224 BBB+ HIA+ Caco2-
DB07002 mol2, pdbqt 269,3 -3,836 336,394 2,4243 6 1 0 0,79206 0,673250645345882 BBB+ HIA+ Caco2+
DB07003 mol2, pdbqt 135,71 -2,313 182,246 0,7487 3 1 0 2,6263 0,918866800278604 BBB+ HIA+ Caco2-
DB07004 mol2, pdbqt 243,39 -4,214 279,363 1,9267 5 3 0 -5,287 0,240472023763411 BBB+ HIA+ Caco2-
DB07005 mol2, pdbqt 307,6 -2,294 394,497 0,2973 7 4 0 3,1566 0,840766770589764 BBB+ HIA+ Caco2-
DB07006 mol2, pdbqt 301,12 -5,252 416,432 3,257 7 3 0 1,6278 0,528629298802783 BBB- HIA+ Caco2-
DB07007 mol2, pdbqt 246,21 -3,488 329,423 1,2332 5 2 0 1,9967 0,797281445225363 BBB+ HIA+ Caco2-
DB07008 mol2, pdbqt 278,28 -8,817 374,355 3,3425 8 0 0 1,2133 0,378336941234753 BBB+ HIA+ Caco2-
DB07009 mol2, pdbqt 203,37 -5,62 277,278 3,8174 4 2 0 -0,80026 0,181243431873778 BBB+ HIA+ Caco2-
DB07010 mol2, pdbqt 288,83 -5,165 376,846 3,202 5 3 0 4,448 0,611110558056619 BBB+ HIA+ Caco2-
DB07011 mol2, pdbqt 289,1 -5,959 377,443 3,2428 6 0 0 3,1333 0,525101780571015 BBB+ HIA+ Caco2+
DB07012 mol2, pdbqt 143,39 -2,509 201,189 -0,2643 6 3 0 1,6561 0,87050114416011 BBB+ HIA+ Caco2-
DB07013 mol2, pdbqt 355,63 -6,061 465,569 1,9893 9 3 0 -34,794 0,24580577722565 BBB+ HIA+ Caco2-
DB07014 mol2, pdbqt 260,11 -6,586 360,364 3,8304 6 0 0 -0,59235 0,322087054306226 BBB+ HIA+ Caco2-
DB07015 mol2, pdbqt 250,56 -1,403 339,398 0,4018 7 1 0 5,2365 0,91694293202024 BBB+ HIA+ Caco2-
DB07016 mol2, pdbqt 142,83 -2,484 211,284 0,8973 3 1 0 1,8685 0,877451804455092 BBB+ HIA+ Caco2-
DB07017 mol2, pdbqt 224,49 -3,441 310,392 2,0848 4 2 0 3,0266 0,828573032448507 BBB+ HIA+ Caco2-
DB07018 mol2, pdbqt 271,45 -2,838 328,454 3,053 4 1 0 6,5912 0,838276240034048 BBB+ HIA+ Caco2+
DB07019 mol2, pdbqt 347,94 -5,574 459,609 2,8859 7 1 0 -4,4193 0,263540178219732 BBB- HIA+ Caco2-
DB07020 mol2, pdbqt 281,46 -5,757 370,371 2,3694 8 3 0 3,2617 0,456955712455896 BBB+ HIA+ Caco2+
Page 
 of 344
Records 4681 to 4700 of 6870
These data are only available for scientific research purposes.