• Drug Bank
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Records 4081 to 4100 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
DB04580 mol2, pdbqt 126,57 -2,388 159,187 1,3054 2 0 0 1,1724 0,834389917688186 BBB+ HIA+ Caco2+
DB04581 mol2, pdbqt 134,74 -0,884 158,203 1,3101 2 0 0 3,2632 0,954005574918682 BBB+ HIA+ Caco2+
DB04582 mol2, pdbqt 229,09 -3,465 311,34 1,6148 6 2 0 2,2407 0,487900663884638 BBB- HIA+ Caco2-
DB04583 mol2, pdbqt 243,15 -5,89 317,343 3,5504 4 2 0 -0,727 0,367828720073408 BBB+ HIA+ Caco2+
DB04584 mol2, pdbqt 130,59 -2,006 163,175 -0,8174 3 2 0 -3,0994 0,503984618820808 BBB- HIA+ Caco2+
DB04585 mol2, pdbqt 145,19 2,935 189,982 -2,2426 6 5 0 -25,647 0,237034131157237 BBB+ HIA- Caco2-
DB04586 mol2, pdbqt 98,24 -2,154 173,009 2,0391 1 1 0 -4,0621 0,28659698512833 BBB+ HIA+ Caco2+
DB04587 mol2, pdbqt 270,96 -0,167 394,316 -3,6974 11 4 1 -20,719 0,26598829392714 BBB+ HIA- Caco2-
DB04588 mol2, pdbqt 289,3 -3,338 422,848 0,8389 9 5 0 5,7876 0,78242320496583 BBB- HIA+ Caco2-
DB04590 mol2, pdbqt 312,56 -2,879 417,436 1,4226 8 4 0 -2,6756 0,429606976762158 BBB+ HIA+ Caco2-
DB04591 mol2, pdbqt 328,9 -4,895 439,469 2,6267 8 2 0 -2,3935 0,331336851135684 BBB+ HIA+ Caco2-
DB04592 mol2, pdbqt 88,75 -1,789 151,003 1,3664 1 1 0 -13,182 0,288230378037061 BBB+ HIA+ Caco2+
DB04593 mol2, pdbqt 444,06 -3,37 587,7 0,6239 13 8 3 0,93865 0,296104979122977 BBB+ HIA+ Caco2-
DB04594 mol2, pdbqt 108,07 -0,345 148,114 -1,234 5 3 0 1,2061 0,87341717513121 BBB+ HIA- Caco2-
DB04595 mol2, pdbqt 538,13 -4,874 680,8 1,6641 14 5 2 2,4539 0,398442678867694 BBB- HIA+ Caco2-
DB04596 mol2, pdbqt 264,38 0,124 426,326 -4,8269 14 7 2 -3,0784 0,44437394731488 BBB- HIA- Caco2-
DB04597 mol2, pdbqt 158,58 -0,194 250,202 -2,6402 8 4 0 -1,5402 0,571804379883853 BBB- HIA- Caco2-
DB04598 mol2, pdbqt 127,65 -2,145 187,582 0,7277 4 3 0 -1,3949 0,572336282330029 BBB- HIA+ Caco2-
DB04599 mol2, pdbqt 169,1 -1,945 219,239 1,5197 4 0 0 2,9806 0,554402688928967 BBB+ HIA+ Caco2+
DB04600 mol2, pdbqt 291 -7,708 449,288 1,5996 9 1 0 -5,4517 0,216210927863739 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4081 to 4100 of 6870
These data are only available for scientific research purposes.