• Drug Bank
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Records 4241 to 4260 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
DB04748 mol2, pdbqt 524,24 -4,532 698,907 4,2992 12 3 2 7,1947 0,364995364384353 BBB- HIA+ Caco2-
DB04749 mol2, pdbqt 116,57 -1,646 177,267 0,4263 2 0 0 -4,3625 0,294095045617675 BBB+ HIA+ Caco2+
DB04750 mol2, pdbqt 273,36 -4,804 412,299 2,7371 7 3 0 -5,9341 0,193245719594035 BBB+ HIA+ Caco2+
DB04751 mol2, pdbqt 298,09 -5,022 388,901 3,871 7 3 0 2,3399 0,561715850564584 BBB+ HIA+ Caco2-
DB04752 mol2, pdbqt 628,29 -7,073 716,974 10,329 9 2 2 -61,113 7,46302762819676E-02 BBB+ HIA+ Caco2-
DB04753 mol2, pdbqt 239,14 -0,707 373,257 -5,6955 11 5 1 -9,2891 0,271282341412207 BBB+ HIA- Caco2-
DB04754 mol2, pdbqt 244,26 -1,631 389,26 -5,9907 13 5 1 -8,4217 0,26418490396206 BBB+ HIA+ Caco2-
DB04755 mol2, pdbqt 91,64 -0,366 137,051 -3,0447 4 0 0 -13,724 0,49436223583909 BBB+ HIA- Caco2-
DB04756 mol2, pdbqt 225,77 -5,631 330,122 3,3529 6 3 0 -1,7957 0,057599219469702 BBB+ HIA- Caco2-
DB04757 mol2, pdbqt 230,5 -1,549 375,233 -5,5917 13 5 1 -6,3557 0,268846186421139 BBB+ HIA+ Caco2-
DB04758 mol2, pdbqt 416,81 -3,788 555,658 -0,26 12 7 3 7,3175 0,590984037954033 BBB+ HIA+ Caco2-
DB04759 mol2, pdbqt 300,76 -4,004 374,443 2,606 6 2 0 1,2255 0,668219619591651 BBB+ HIA+ Caco2+
DB04760 mol2, pdbqt 313,46 -4,632 410,423 2,8076 6 2 0 -0,11446 0,485133299358317 BBB+ HIA+ Caco2-
DB04761 mol2, pdbqt 273,76 -1,726 348,365 -0,0836 8 2 0 1,295 0,812602071624079 BBB+ HIA+ Caco2+
DB04762 mol2, pdbqt 264,3 0,759 378,273 -6,0431 11 6 2 -20,224 0,452195170848568 BBB- HIA- Caco2-
DB04763 mol2, pdbqt 235,83 -2,603 305,421 2,3931 4 1 0 0,42308 0,709499990620506 BBB+ HIA+ Caco2-
DB04764 mol2, pdbqt 323,43 -4,251 399,536 4,4477 4 1 0 2,8391 0,590294445815215 BBB+ HIA+ Caco2-
DB04765 mol2, pdbqt 274,47 0,65 392,3 -5,6625 11 6 2 -17,146 0,445351195269362 BBB- HIA- Caco2-
DB04767 mol2, pdbqt 367,47 -2,823 487,644 -0,4854 10 6 1 3,3491 0,715517679880218 BBB- HIA+ Caco2-
DB04768 mol2, pdbqt 292,86 1,793 419,29 -4,9775 11 4 1 -29,479 0,430954541664799 BBB+ HIA- Caco2-
Page 
 of 344
Records 4241 to 4260 of 6870
These data are only available for scientific research purposes.