• Drug Bank
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 of 344
Records 4561 to 4580 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
DB06879 mol2, pdbqt 303,68 -4,36 412,443 1,0172 7 1 0 -1,1518 0,442492701274663 BBB+ HIA+ Caco2-
DB06880 mol2, pdbqt 219,97 -4,289 263,384 0,6149 4 2 0 -4,466 0,408208364893598 BBB+ HIA+ Caco2-
DB06881 mol2, pdbqt 148,56 0,216 210,121 -2,8418 6 3 0 -20,114 0,491091607023907 BBB+ HIA+ Caco2-
DB06882 mol2, pdbqt 311,72 -6,77 399,497 4,4742 6 3 0 0,02781 8,95459566963529E-02 BBB+ HIA+ Caco2-
DB06883 mol2, pdbqt 277,12 -5,164 349,437 3,2798 6 3 0 0,02781 0,226628112555279 BBB+ HIA+ Caco2+
DB06884 mol2, pdbqt 230,82 -3,756 284,358 2,3765 4 3 0 1,9657 0,777221833195748 BBB+ HIA+ Caco2+
DB06885 mol2, pdbqt 189,1 -3,142 261,198 2,8503 4 1 0 -8,9153 0,344070781972894 BBB+ HIA+ Caco2+
DB06886 mol2, pdbqt 365,66 -4,087 467,564 2,4186 8 3 0 -8,9628 0,329904090793981 BBB- HIA+ Caco2-
DB06887 mol2, pdbqt 272,88 -2,295 385,44 -0,755 9 3 0 -29,317 0,347807900216708 BBB+ HIA+ Caco2-
DB06888 mol2, pdbqt 283,31 -3,396 403,441 0,6009 8 2 0 8,2236 0,80183201139639 BBB+ HIA+ Caco2-
DB06889 mol2, pdbqt 209,42 -2,838 288,334 0,9579 7 1 0 -0,1139 0,666499613309215 BBB+ HIA+ Caco2+
DB06890 mol2, pdbqt 199,51 -2,936 240,305 2,6862 3 1 0 3,3565 0,867239355678152 BBB+ HIA+ Caco2+
DB06891 mol2, pdbqt 233,91 -3,753 387,824 0,0899 9 3 0 2,8551 0,370631391118132 BBB- HIA+ Caco2-
DB06892 mol2, pdbqt 263,06 -4,261 452,165 1,1539 5 2 0 1,1741 0,599862511873063 BBB+ HIA+ Caco2-
DB06893 mol2, pdbqt 184,53 -2,368 222,348 2,3121 3 1 0 -27,528 0,459765618885659 BBB+ HIA+ Caco2-
DB06894 mol2, pdbqt 183,47 -3,177 186,337 4,5945 1 1 0 -32,166 0,132468862641417 BBB+ HIA+ Caco2+
DB06896 mol2, pdbqt 333,38 -7,184 458,423 3,1284 7 2 0 2,5574 0,4018230904413 BBB+ HIA+ Caco2+
DB06897 mol2, pdbqt 313,86 -6,178 407,9 4,7325 5 2 0 -2,9512 0,222339817842552 BBB+ HIA+ Caco2-
DB06898 mol2, pdbqt 181,47 -3,677 240,265 1,6797 5 2 0 1,0556 0,599604000966865 BBB+ HIA+ Caco2+
DB06899 mol2, pdbqt 309,56 -5,562 414,532 1,4976 8 3 0 7,2109 0,167827827899674 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4561 to 4580 of 6870
These data are only available for scientific research purposes.