• Drug Bank
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Records 3341 to 3360 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
DB03782 mol2, pdbqt 257,95 -4,073 341,457 1,5591 6 5 0 3,4601 0,778031464140078 BBB+ HIA+ Caco2-
DB03784 mol2, pdbqt 271,17 -4,627 281,482 6,3213 2 1 1 -27,656 0,232779197836651 BBB+ HIA+ Caco2+
DB03785 mol2, pdbqt 333,86 -4,092 422,56 3,5755 6 3 0 3,2474 0,651390362011037 BBB+ HIA+ Caco2-
DB03787 mol2, pdbqt 227,17 0,434 331,22 -3,6016 10 4 0 -16,564 0,469792061895985 BBB- HIA- Caco2-
DB03788 mol2, pdbqt 299,03 -5,223 376,451 4,6935 4 2 0 -1,1912 0,318421745495338 BBB- HIA+ Caco2+
DB03789 mol2, pdbqt 88,76 0,278 97,1405 0,186 2 1 0 2,2072 0,940494028227905 BBB+ HIA+ Caco2+
DB03790 mol2, pdbqt 126,98 -0,494 181,211 -3,8602 5 2 0 -15,346 0,491928159539795 BBB+ HIA+ Caco2-
DB03791 mol2, pdbqt 436,88 -6,726 582,06 6,3614 4 1 2 -4,965 0,110941862185581 BBB+ HIA+ Caco2+
DB03792 mol2, pdbqt 91,65 -1,259 127,103 -1,9388 5 3 0 1,1567 0,518905626366826 BBB+ HIA+ Caco2-
DB03793 mol2, pdbqt 37,3 -1,629 122,123 1,1447 2 1 0 -1,8442 0,198040361486154 BBB+ HIA+ Caco2+
DB03794 mol2, pdbqt 88,08 -1,146 143,064 -2,5068 3 2 0 -15,864 0,294785513974064 BBB+ HIA+ Caco2-
DB03795 mol2, pdbqt 110,39 -0,481 146,141 -0,5859 4 2 0 -13,478 0,492872891440824 BBB+ HIA+ Caco2-
DB03796 mol2, pdbqt 242,5 -4,239 256,428 6,0625 2 1 1 -25,216 0,092678499045464 BBB+ HIA+ Caco2+
DB03797 mol2, pdbqt 421,47 -0,884 650,453 -9,2718 20 8 3 -30,306 0,283008354802523 BBB+ HIA- Caco2-
DB03798 mol2, pdbqt 200,38 0,45 307,198 -5,4853 10 4 0 -22,657 0,4764717653207 BBB+ HIA+ Caco2-
DB03799 mol2, pdbqt 133,09 -1,91 203,184 -0,3235 3 2 0 -17,366 0,481198480840244 BBB+ HIA+ Caco2-
DB03800 mol2, pdbqt 198,1 0,59 308,182 -4,9349 10 4 0 -19,945 0,304868687142726 BBB+ HIA- Caco2-
DB03801 mol2, pdbqt 149,22 -1,17 190,198 -2,7689 6 4 0 -17,1 0,150134409813373 BBB+ HIA+ Caco2-
DB03802 mol2, pdbqt 338,37 -4,927 439,601 5,3061 4 1 1 1,4733 0,196875447535317 BBB+ HIA+ Caco2-
DB03803 mol2, pdbqt 604,12 -4,814 768,909 1,619 14 6 3 1,3677 0,283744042217173 BBB- HIA- Caco2-
Page 
 of 344
Records 3341 to 3360 of 6870
These data are only available for scientific research purposes.