• Drug Bank
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 of 344
Records 4581 to 4600 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
DB06900 mol2, pdbqt 133,66 -1,285 165,195 -0,2555 4 4 0 0,8475 0,830331453124519 BBB+ HIA+ Caco2-
DB06901 mol2, pdbqt 142,97 -2,258 168,235 1,3842 2 1 0 -8,909 0,474195923614807 BBB+ HIA+ Caco2+
DB06902 mol2, pdbqt 174,3 -2,593 212,291 3,2112 1 1 0 -3,2442 0,130934116293743 BBB+ HIA+ Caco2+
DB06903 mol2, pdbqt 171,95 -3,117 234,338 2,7056 2 1 0 -1,354 0,526409641243342 BBB+ HIA+ Caco2+
DB06904 mol2, pdbqt 229,02 -2,245 299,346 1,1628 6 1 0 -9,9735 0,276082626393139 BBB+ HIA+ Caco2-
DB06905 mol2, pdbqt 279,89 -3,148 331,454 1,5763 4 2 0 -0,13227 0,633635920877258 BBB- HIA+ Caco2+
DB06906 mol2, pdbqt 139,42 -1,629 183,166 0,1136 6 2 0 -5,0716 0,487525816412556 BBB+ HIA+ Caco2-
DB06907 mol2, pdbqt 211,01 -6,091 308,12 4,0115 4 1 0 -0,51704 0,35456685255649 BBB+ HIA+ Caco2+
DB06908 mol2, pdbqt 332,85 -5,593 438,91 4,2126 6 1 0 -8,6032 0,239622224570276 BBB+ HIA+ Caco2-
DB06909 mol2, pdbqt 298,83 -4,012 379,463 1,4724 7 2 0 1,4694 0,698751656885881 BBB+ HIA+ Caco2-
DB06910 mol2, pdbqt 324,69 -3,838 406,524 3,8197 5 2 0 0,84495 0,579407858706885 BBB+ HIA+ Caco2+
DB06911 mol2, pdbqt 271,78 -3,326 351,876 1,9002 5 2 0 -3,3566 0,432096499722217 BBB+ HIA+ Caco2-
DB06912 mol2, pdbqt 237,4 -2,578 264,32 2,128 4 0 0 -7,7828 9,80510868271659E-02 BBB+ HIA+ Caco2+
DB06913 mol2, pdbqt 232,87 -3,56 357,277 1,6511 4 3 0 -14,631 0,410484229998178 BBB+ HIA+ Caco2-
DB06914 mol2, pdbqt 222,11 -2,196 292,765 2,2063 4 0 0 -2,2974 0,297023382036562 BBB+ HIA+ Caco2+
DB06915 mol2, pdbqt 139,61 -1,742 208,169 1,1255 5 5 0 -2,2721 0,5233769497556 BBB- HIA+ Caco2-
DB06916 mol2, pdbqt 318,09 -3,966 420,472 2,5583 9 1 0 6,3739 0,717517945991592 BBB+ HIA+ Caco2-
DB06917 mol2, pdbqt 155,88 -3,235 201,2 1,8895 2 0 0 -2,2051 0,491881538694549 BBB+ HIA+ Caco2+
DB06918 mol2, pdbqt 198,28 -3,532 249,316 2,4814 3 3 0 0,6175 0,421677435965756 BBB+ HIA+ Caco2-
DB06919 mol2, pdbqt 294,52 -3,761 385,894 2,215 5 2 0 3,0445 0,756917799422707 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4581 to 4600 of 6870
These data are only available for scientific research purposes.