• Drug Bank
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Records 1841 to 1860 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
DB02153 mol2, pdbqt 101,45 -0,03 153,158 -5,1484 5 3 0 -7,9673 0,494617070800886 BBB+ HIA- Caco2-
DB02154 mol2, pdbqt 274,26 -4,486 386,355 2,8766 8 2 0 -1,1098 0,431217469000132 BBB+ HIA+ Caco2-
DB02155 mol2, pdbqt 431,34 -6,352 560,645 4,9476 9 4 1 1,7407 0,279721466337811 BBB- HIA+ Caco2-
DB02156 mol2, pdbqt 104,04 0,395 168,125 -3,198 6 2 0 -13,14 0,494239148473046 BBB+ HIA+ Caco2-
DB02158 mol2, pdbqt 210,74 -1,168 297,382 -2,4273 7 6 1 1,9717 0,712914657399753 BBB+ HIA+ Caco2-
DB02159 mol2, pdbqt 64,72 -0,348 76,0945 -0,5169 2 2 0 -4,5108 0,500498577107133 BBB+ HIA+ Caco2-
DB02160 mol2, pdbqt 147,4 -0,703 191,25 -2,5598 4 2 0 -9,5947 0,490586899967338 BBB- HIA+ Caco2-
DB02161 mol2, pdbqt 207,96 -2,203 275,347 1,3579 4 1 0 1,1497 0,490122936391744 BBB+ HIA+ Caco2+
DB02162 mol2, pdbqt 250,88 -2,426 374,377 -1,5934 12 4 1 -7,2036 0,438595284963521 BBB+ HIA+ Caco2-
DB02163 mol2, pdbqt 106,3 -2,38 121,182 1,6701 1 1 0 -2 0,121762403570098 BBB+ HIA+ Caco2+
DB02164 mol2, pdbqt 346,31 0,267 537,418 -7,3886 16 7 3 -17,411 0,346506426463625 BBB- HIA- Caco2-
DB02165 mol2, pdbqt 39,3 3,28 116,411 0 3 3 0 -4,7675 0,499971335625952 BBB+ HIA+ Caco2-
DB02166 mol2, pdbqt 343,3 -5,254 414,595 3,5269 4 2 0 7,4776 0,162795138391314 BBB+ HIA+ Caco2+
DB02167 mol2, pdbqt 97,18 0,04 117,147 -1,7601 3 1 0 4,2129 0,983991839070093 BBB+ HIA+ Caco2+
DB02168 mol2, pdbqt 112 -3,044 199,011 -0,5436 4 1 0 -2,2833 0,504695482043354 BBB+ HIA+ Caco2-
DB02169 mol2, pdbqt 584,3 -6,822 805,011 3,6988 13 5 2 -4,9408 0,131280215146179 BBB+ HIA+ Caco2-
DB02170 mol2, pdbqt 183,64 -4,795 273,2 1,7536 7 2 0 -6,2236 0,295595554307319 BBB- HIA+ Caco2-
DB02172 mol2, pdbqt 114,38 0,201 163,172 -2,5057 5 5 0 1,0345 0,858798349858072 BBB- HIA+ Caco2-
DB02173 mol2, pdbqt 389,69 -5,444 510,592 3,6074 8 4 1 0,31771 0,362893491106442 BBB+ HIA+ Caco2-
DB02174 mol2, pdbqt 112,41 -0,497 146,145 -3,7564 5 3 0 -17,946 0,49371297875074 BBB+ HIA- Caco2-
Page 
 of 344
Records 1841 to 1860 of 6870
These data are only available for scientific research purposes.