• Drug Bank
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 of 344
Records 2381 to 2400 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
DB02738 mol2, pdbqt 381,77 3,559 667,139 -14,985 24 9 3 -30,411 0,279625467267172 BBB+ HIA- Caco2-
DB02740 mol2, pdbqt 162,81 -2,659 203,24 2,091 3 2 0 -4,5535 0,278428706837597 BBB+ HIA+ Caco2-
DB02741 mol2, pdbqt 293,35 -7,741 386,489 5,5279 3 1 1 -4,5904 0,164870687848758 BBB+ HIA+ Caco2+
DB02742 mol2, pdbqt 145,42 0,647 232,191 -3,5695 8 5 0 1,337 0,701642971655128 BBB- HIA+ Caco2-
DB02743 mol2, pdbqt 219,82 0,551 342,296 -4,4579 11 8 2 -7,6104 0,279940466299753 BBB+ HIA- Caco2-
DB02744 mol2, pdbqt 305,87 -1,72 445,523 0,3039 9 4 0 7,2844 0,485960824914275 BBB- HIA+ Caco2-
DB02745 mol2, pdbqt 163,07 -0,591 244,202 -2,5432 8 4 0 -4,6489 0,490444234141988 BBB+ HIA+ Caco2-
DB02746 mol2, pdbqt 121,46 -1,642 166,132 0,6298 4 2 0 -1,8442 0,158477639877374 BBB+ HIA+ Caco2+
DB02747 mol2, pdbqt 385,74 -3,057 483,591 -0,3087 10 7 1 4,1265 0,718463742875796 BBB+ HIA+ Caco2-
DB02749 mol2, pdbqt 169,66 -1,668 254,15 -0,4 8 4 0 -1,8442 0,260816538371477 BBB+ HIA+ Caco2+
DB02750 mol2, pdbqt 102,13 -0,806 335,776 -2,2967 3 2 0 -6,7369 0,191007612766553 BBB+ HIA+ Caco2-
DB02751 mol2, pdbqt 91,65 0,331 117,108 -1,6545 5 4 0 -0,98869 0,630477571822338 BBB+ HIA+ Caco2-
DB02752 mol2, pdbqt 188,78 -1,638 269,32 0,9167 5 1 0 -5,5169 0,475044229072383 BBB+ HIA+ Caco2-
DB02753 mol2, pdbqt 165,9 -1,908 331,189 -1,3138 8 3 0 -2,8433 0,48555038808966 BBB+ HIA+ Caco2-
DB02754 mol2, pdbqt 295,7 -3,526 371,44 2,446 8 1 0 0,48917 0,645640777509158 BBB+ HIA+ Caco2+
DB02755 mol2, pdbqt 361,75 2,431 584,415 -9,5388 19 12 3 -18,714 0,316505452777596 BBB+ HIA- Caco2-
DB02756 mol2, pdbqt 129,35 -2,602 173,214 1,7152 2 0 0 1,989 0,875816931600568 BBB+ HIA+ Caco2+
DB02757 mol2, pdbqt 61,59 -0,189 68,0788 -0,4468 2 1 0 2,3434 0,568589553430656 BBB+ HIA+ Caco2+
DB02758 mol2, pdbqt 149,05 -2,389 189,213 1,6366 3 2 0 -1,0387 0,59190906487984 BBB+ HIA+ Caco2-
DB02759 mol2, pdbqt 404,91 -2,065 582,557 -2,2303 15 7 3 -5,0009 0,186983003482594 BBB- HIA- Caco2-
Page 
 of 344
Records 2381 to 2400 of 6870
These data are only available for scientific research purposes.