• Drug Bank
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Records 3321 to 3340 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
DB03760 mol2, pdbqt 164,38 -3,319 208,345 2,2449 2 1 0 -18,493 0,440430777365472 BBB+ HIA+ Caco2-
DB03761 mol2, pdbqt 202,77 0,013 326,172 -4,8272 10 4 0 -19,399 0,470808965024402 BBB+ HIA- Caco2-
DB03763 mol2, pdbqt 168,56 -0,935 242,23 -2,0023 7 3 0 -0,1375 0,710569982920917 BBB+ HIA+ Caco2-
DB03764 mol2, pdbqt 118,22 -2,29 156,137 0,7097 4 2 0 -1,9944 0,123145672719131 BBB+ HIA+ Caco2+
DB03765 mol2, pdbqt 205,86 1,745 323,197 -5,7562 11 6 2 -18,986 0,472963937667266 BBB+ HIA- Caco2-
DB03766 mol2, pdbqt 63,62 -0,729 74,0786 0,1553 2 1 0 -1,5364 0,2089617625234 BBB+ HIA+ Caco2+
DB03767 mol2, pdbqt 328,53 -2,95 402,493 1,1197 8 2 0 1,7066 0,455819190903869 BBB- HIA+ Caco2-
DB03768 mol2, pdbqt 441,03 -4,185 573,752 3,519 9 3 1 -3,2651 0,257271024090216 BBB- HIA+ Caco2-
DB03769 mol2, pdbqt 177,42 -1,154 253,217 -2,5397 9 4 0 4,555 0,959921364123976 BBB+ HIA+ Caco2-
DB03770 mol2, pdbqt 60,14 -0,177 75,0707 -1,835 4 4 0 -0,09087 0,733077445939721 BBB+ HIA+ Caco2-
DB03771 mol2, pdbqt 300,82 -5,957 412,326 5,4572 3 0 1 -1,2068 0,142399146972117 BBB+ HIA+ Caco2+
DB03772 mol2, pdbqt 197,63 -1,656 248,318 0,8831 5 3 0 -12,265 0,285719060316373 BBB+ HIA+ Caco2-
DB03773 mol2, pdbqt 110,16 -0,256 164,156 -1,6941 5 4 0 0,38132 0,786241014425603 BBB+ HIA- Caco2-
DB03774 mol2, pdbqt 90,41 -0,654 132,138 -3,2213 4 2 0 -15,987 0,177755462577894 BBB+ HIA+ Caco2-
DB03775 mol2, pdbqt 170,83 -2,357 214,264 1,0956 5 3 0 -7,9172 0,471275590182183 BBB+ HIA+ Caco2-
DB03776 mol2, pdbqt 64,15 -0,563 74,0786 -0,7292 2 1 0 -6,4988 0,396422497263291 BBB+ HIA+ Caco2+
DB03777 mol2, pdbqt 313,47 -2,616 412,492 1,7206 6 2 0 7,8446 0,818380551877886 BBB+ HIA+ Caco2-
DB03779 mol2, pdbqt 217,08 0,468 341,312 -5,2955 11 9 2 -2,3475 0,507320781374748 BBB- HIA- Caco2-
DB03780 mol2, pdbqt 120,46 -2,298 161,164 0,1361 4 2 0 1,1588 0,842455660397815 BBB+ HIA+ Caco2+
DB03781 mol2, pdbqt 232,72 -5,556 327,162 3,6865 4 1 0 -0,9615 0,132333612399525 BBB+ HIA+ Caco2+
Page 
 of 344
Records 3321 to 3340 of 6870
These data are only available for scientific research purposes.