• Drug Bank
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Records 3261 to 3280 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
DB03694 mol2, pdbqt 125,95 -2,305 152,221 1,1375 2 2 0 -0,94995 0,131370910029144 BBB+ HIA+ Caco2+
DB03696 mol2, pdbqt 340,8 -6,453 426,726 8,4216 1 1 1 -4,1331 4,78668529610546E-02 BBB+ HIA+ Caco2+
DB03697 mol2, pdbqt 203,13 -1,929 271,34 -0,147 6 3 0 0,90624 0,809501557014897 BBB+ HIA+ Caco2-
DB03698 mol2, pdbqt 695,4 -1,103 994,885 -8,789 25 10 3 -44,348 4,28825969126789E-02 BBB- HIA+ Caco2-
DB03699 mol2, pdbqt 573,04 1,002 867,611 -10,561 26 10 3 -44,49 0,252686168337563 BBB- HIA- Caco2-
DB03700 mol2, pdbqt 89,73 -0,277 119,119 -3,5585 4 3 0 -12,838 0,495201054498897 BBB- HIA+ Caco2-
DB03702 mol2, pdbqt 413,44 -3,979 570,563 1,3392 11 4 2 -31,488 0,278455009070328 BBB- HIA+ Caco2-
DB03703 mol2, pdbqt 87,65 -1,751 100,16 1,1999 1 1 0 -5,6038 0,104777537666337 BBB+ HIA+ Caco2+
DB03704 mol2, pdbqt 195,31 -2,652 216,32 3,3182 3 2 0 -24,658 0,260161287432096 BBB+ HIA+ Caco2-
DB03705 mol2, pdbqt 131,01 -2,733 185,143 -2,5527 8 3 0 -2,4726 0,507728310670028 BBB+ HIA+ Caco2-
DB03706 mol2, pdbqt 366,19 -2,167 502,499 -4,2635 14 6 3 -16,681 0,362742021777469 BBB+ HIA- Caco2-
DB03707 mol2, pdbqt 148,26 -2,793 180,274 1,8513 2 1 0 -0,54684 0,629360224992758 BBB+ HIA+ Caco2+
DB03708 mol2, pdbqt 259,87 -0,103 427,286 -5,9825 15 5 1 -36,035 0,424736045423501 BBB+ HIA- Caco2-
DB03709 mol2, pdbqt 129,4 0,832 163,172 -3,1602 5 3 0 -6,0003 0,11430441824086 BBB- HIA+ Caco2-
DB03710 mol2, pdbqt 156,18 -0,433 202,277 -1,9064 5 4 0 -13,07 0,490391763973938 BBB+ HIA+ Caco2-
DB03711 mol2, pdbqt 126,07 -1,696 144,213 1,555 2 1 0 -0,98383 0,366536857660768 BBB+ HIA+ Caco2+
DB03712 mol2, pdbqt 447,75 -5,698 585,655 3,2074 10 4 1 2,5629 0,37680534177979 BBB- HIA- Caco2-
DB03714 mol2, pdbqt 287,04 -4,194 430,299 -1,4129 9 5 0 -11,632 0,358616987026571 BBB+ HIA- Caco2-
DB03716 mol2, pdbqt 181,17 -2,907 269,235 -1,0385 8 3 0 -1,8416 0,520758223195175 BBB+ HIA+ Caco2-
DB03717 mol2, pdbqt 177,5 -0,202 263,245 -2,8546 8 5 0 -2,7929 0,512070236052562 BBB- HIA- Caco2-
Page 
 of 344
Records 3261 to 3280 of 6870
These data are only available for scientific research purposes.