• Drug Bank
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 of 344
Records 2501 to 2520 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
DB02869 mol2, pdbqt 236,64 -3,833 301,409 2,2526 3 1 0 -12,514 0,409330471339482 BBB+ HIA+ Caco2-
DB02870 mol2, pdbqt 123,02 -2,185 133,193 1,9818 1 1 0 -2,6146 0,503844359124744 BBB+ HIA+ Caco2+
DB02871 mol2, pdbqt 130,04 -1,564 160,28 1,2459 1 0 0 -8,4464 0,482615789634194 BBB+ HIA+ Caco2+
DB02872 mol2, pdbqt 446,85 -5,114 686,443 5,6427 8 1 2 4,633 0,215906725936829 BBB+ HIA+ Caco2-
DB02873 mol2, pdbqt 339,39 -8,523 489,352 5,1147 5 2 1 2,4868 0,222956115037892 BBB+ HIA+ Caco2-
DB02875 mol2, pdbqt 198,33 -3,259 270,266 -0,2324 5 3 0 -1,2011 0,551242293898596 BBB+ HIA+ Caco2-
DB02876 mol2, pdbqt 262,78 -3,19 377,376 -0,0061999 9 4 0 -0,26786 0,602101996822531 BBB- HIA- Caco2-
DB02877 mol2, pdbqt 277,97 -5,9 348,484 5,6309 2 1 1 -4,2902 0,122798498833421 BBB+ HIA+ Caco2+
DB02878 mol2, pdbqt 186,3 -1,012 232,279 -4,515 6 4 0 -1,4091 0,581255911493156 BBB+ HIA- Caco2-
DB02879 mol2, pdbqt 195,17 2,543 340,281 -5,8504 12 5 1 -0,47477 0,64721230030121 BBB+ HIA- Caco2-
DB02880 mol2, pdbqt 218,43 -3,931 338,175 3,4562 3 2 0 -2,7318 0,316454781723987 BBB+ HIA+ Caco2+
DB02881 mol2, pdbqt 237,25 -4,552 302,437 5,1633 2 2 1 -1,5472 0,330502607236848 BBB+ HIA+ Caco2+
DB02882 mol2, pdbqt 296,65 -4,894 364,451 2,1464 4 1 0 0,28723 0,321232453426143 BBB+ HIA+ Caco2+
DB02883 mol2, pdbqt 195,29 0,051 291,199 -4,6332 9 3 0 -21,77 0,383669867164592 BBB+ HIA- Caco2-
DB02884 mol2, pdbqt 140,18 -2,002 171,239 -1,1926 3 2 0 -15,972 0,482995130723502 BBB+ HIA+ Caco2-
DB02885 mol2, pdbqt 120,25 -1,167 175,113 -0,1678 3 1 0 -11,286 0,48840827741748 BBB+ HIA+ Caco2+
DB02887 mol2, pdbqt 282,7 2,447 464,152 -8,8334 15 5 1 -25,902 0,401361720095485 BBB+ HIA- Caco2-
DB02888 mol2, pdbqt 486,33 -5,284 624,722 6,3773 8 0 2 -13,759 0,12697448061255 BBB+ HIA+ Caco2+
DB02889 mol2, pdbqt 317,45 0,286 483,465 -5,34 14 11 2 -2,1039 0,428385503392788 BBB- HIA- Caco2-
DB02890 mol2, pdbqt 207,86 -0,066 340,18 -5,6905 12 6 2 -19,387 0,466296917210519 BBB+ HIA- Caco2-
Page 
 of 344
Records 2501 to 2520 of 6870
These data are only available for scientific research purposes.