• Drug Bank
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 of 344
Records 4781 to 4800 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
DB07102 mol2, pdbqt 258,63 -3,261 328,367 -0,3481 6 3 0 -16,821 0,43544759655085 BBB+ HIA- Caco2-
DB07103 mol2, pdbqt 150,88 -1,902 200,173 0,1825 3 1 0 -14,39 0,288448755676118 BBB+ HIA+ Caco2+
DB07104 mol2, pdbqt 235,79 -3,408 284,358 2,2957 4 2 0 -0,67378 0,57233636575755 BBB+ HIA+ Caco2+
DB07105 mol2, pdbqt 301,72 -4,048 405,909 1,1328 7 5 0 5,9847 0,448155158523585 BBB+ HIA+ Caco2-
DB07106 mol2, pdbqt 149,68 -0,418 175,299 0,2141 3 2 0 2,4509 0,942022684918642 BBB+ HIA+ Caco2-
DB07107 mol2, pdbqt 299,51 -4,087 370,455 2,7172 5 2 0 -0,040779 0,555613050045273 BBB+ HIA+ Caco2-
DB07108 mol2, pdbqt 163,47 -4,029 216,21 2,9047 2 1 0 -3,1842 0,417105750641387 BBB+ HIA+ Caco2+
DB07109 mol2, pdbqt 152,47 -1,721 194,185 1,0582 4 2 0 0,27506 0,753129158151812 BBB- HIA+ Caco2+
DB07110 mol2, pdbqt 158,87 -2,734 193,264 2,5565 1 1 0 -1,2492 0,552530615645955 BBB+ HIA+ Caco2+
DB07111 mol2, pdbqt 324,03 -4,092 344,493 6,2539 3 2 1 -6,7462 0,244363419113781 BBB+ HIA+ Caco2+
DB07112 mol2, pdbqt 206,32 -2,951 372,113 0,5673 6 3 0 -3,0295 0,4468360220342 BBB- HIA- Caco2-
DB07113 mol2, pdbqt 346,65 -6,268 469,491 3,2357 8 2 0 2,183 0,122896143245201 BBB+ HIA+ Caco2-
DB07114 mol2, pdbqt 149,66 -2,716 215,228 0,1934 5 2 0 2,3327 0,893477047390528 BBB+ HIA+ Caco2-
DB07115 mol2, pdbqt 250,44 -2,713 374,868 1,6663 6 1 0 5,7405 0,85071103201875 BBB+ HIA+ Caco2-
DB07116 mol2, pdbqt 223,66 -1,36 327,272 -1,7414 7 3 0 -19,157 0,279446147733004 BBB+ HIA+ Caco2-
DB07117 mol2, pdbqt 335,52 -4,349 458,477 1,3878 10 2 0 8,0492 0,397856508865284 BBB+ HIA+ Caco2-
DB07118 mol2, pdbqt 130,83 -1,803 176,171 1,2299 3 1 0 -7,1335 0,28809977365081 BBB+ HIA+ Caco2+
DB07119 mol2, pdbqt 195,74 -5,452 270,714 4,4278 2 2 0 -1,9236 0,186745495420973 BBB+ HIA+ Caco2+
DB07120 mol2, pdbqt 212,82 -4,095 269,307 0,0546 6 4 0 3,456 0,815114612061983 BBB+ HIA+ Caco2-
DB07121 mol2, pdbqt 302,48 -4,087 413,518 0,426 8 3 0 0,85123 0,630107749680838 BBB- HIA+ Caco2-
Page 
 of 344
Records 4781 to 4800 of 6870
These data are only available for scientific research purposes.