• Drug Bank
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 of 344
Records 1081 to 1100 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
DB01244 mol2, pdbqt 15,71 -3,813 366,547 4,4044 3 0 0 1,468 0,361794079754249 BBB+ HIA+ Caco2+
DB01245 mol2, pdbqt 6,48 -0,86 258,492 1,2234 2 0 0 -6,765 0,286958686294179 BBB+ HIA- Caco2+
DB01246 mol2, pdbqt 31,78 -4,225 298,453 4,2192 2 0 0 5,4556 0,195702164284634 BBB+ HIA+ Caco2+
DB01247 mol2, pdbqt 67,16 -2,67 231,254 0,3974 5 2 0 2,615 0,540567195712192 BBB+ HIA+ Caco2-
DB01248 mol2, pdbqt 224,45 -5,811 807,887 2,609 15 5 2 -55,654 0,160403918262348 BBB- HIA+ Caco2-
DB01249 mol2, pdbqt 339,09 -8,127 1550,16 -1,48 21 13 3 5,467 0,259755762452091 BBB- HIA- Caco2-
DB01250 mol2, pdbqt 139,78 -3,542 302,241 2,1406 8 4 0 -5,7173 9,13985704098834E-02 BBB+ HIA+ Caco2-
DB01251 mol2, pdbqt 130,26 -5,288 527,64 3,6785 9 2 1 4,292 0,449974736731282 BBB+ HIA+ Caco2-
DB01252 mol2, pdbqt 57,61 -3,031 315,412 2,9342 4 1 0 -2,0347 0,469877655166039 BBB+ HIA+ Caco2-
DB01253 mol2, pdbqt 68,36 -2,242 325,411 0,8747 5 3 0 6,2554 0,545318447146222 BBB+ HIA+ Caco2-
DB01254 mol2, pdbqt 134,75 -4,701 488,014 3,6259 9 3 0 8,0376 0,195597519307076 BBB- HIA+ Caco2-
DB01255 mol2, pdbqt 81,14 -2,59 263,384 0,9356 4 3 0 -3,6354 0,474099570376221 BBB+ HIA+ Caco2+
DB01256 mol2, pdbqt 92,14 -5,52 517,772 5,218 5 1 2 1,01 0,31104566185816 BBB+ HIA+ Caco2+
DB01259 mol2, pdbqt 114,73 -8,061 581,066 4,7281 8 2 1 -4,2297 0,132306510791156 BBB+ HIA+ Caco2-
DB01260 mol2, pdbqt 93,06 -3,529 416,512 1,4543 6 2 0 1,0826 0,675956557591409 BBB+ HIA+ Caco2-
DB01261 mol2, pdbqt 77,04 -1,516 407,317 1,5969 6 1 0 -9,1713 0,424708206881057 BBB+ HIA+ Caco2-
DB01262 mol2, pdbqt 120,74 -1,837 228,207 -2,0118 8 3 0 1,9929 0,370092113029685 BBB+ HIA+ Caco2-
DB01263 mol2, pdbqt 111,79 -7,42 700,788 4,2308 12 1 2 5,895 8,85707350036508E-02 BBB- HIA+ Caco2+
DB01264 mol2, pdbqt 148,8 -3,96 547,671 2,237 10 3 1 -12,814 0,286993243995586 BBB- HIA+ Caco2+
DB01265 mol2, pdbqt 99,1 -1,114 242,23 -1,2509 7 3 0 3,4779 0,953047652646727 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1081 to 1100 of 6870
These data are only available for scientific research purposes.