• Drug Bank
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 of 344
Records 1881 to 1900 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
DB02196 mol2, pdbqt 380,24 1,664 607,353 -9,0596 20 9 3 -38,349 0,303844017215988 BBB- HIA- Caco2-
DB02197 mol2, pdbqt 262,87 -5,111 366,404 1,544 8 2 0 4,4529 0,660333624178108 BBB+ HIA+ Caco2+
DB02198 mol2, pdbqt 69,99 -1,002 138,948 0,0612 2 1 0 -9,3142 0,105964567371524 BBB+ HIA+ Caco2+
DB02199 mol2, pdbqt 435,12 -12,241 640,519 5,3194 8 2 2 -4,2153 0,104247470409199 BBB+ HIA+ Caco2-
DB02200 mol2, pdbqt 471,08 -7,249 598,762 5,7832 7 2 2 -11,317 0,110995627834259 BBB+ HIA- Caco2-
DB02201 mol2, pdbqt 75,46 -0,204 104,061 -1,121 4 2 0 -3,7615 0,18235008669182 BBB+ HIA+ Caco2-
DB02202 mol2, pdbqt 78,48 -0,618 90,1214 -0,0625 2 2 0 -8,6345 0,236947769799651 BBB+ HIA+ Caco2+
DB02203 mol2, pdbqt 76,49 -1,112 85,1056 0,036 2 1 0 -8,5149 0,141603016969477 BBB+ HIA+ Caco2+
DB02205 mol2, pdbqt 235,73 -4,035 314,38 3,8087 4 1 0 -4,7248 0,219280095922358 BBB+ HIA+ Caco2-
DB02207 mol2, pdbqt 119,86 -2,15 163,136 -0,0515 5 1 0 -3,1379 0,300348204618344 BBB+ HIA+ Caco2+
DB02209 mol2, pdbqt 170,97 0,919 249,158 -3,7275 7 4 0 -20,546 0,487563190823377 BBB+ HIA- Caco2-
DB02210 mol2, pdbqt 108,76 -1,05 118,175 0,9414 2 2 0 -17,249 0,175890489619683 BBB+ HIA+ Caco2+
DB02211 mol2, pdbqt 159,91 -2,144 185,269 1,9958 1 0 0 2,8338 0,913132632403444 BBB+ HIA+ Caco2+
DB02213 mol2, pdbqt 205,09 -1,666 301,25 -1,597 9 4 0 -9,5438 0,470389177976549 BBB- HIA- Caco2-
DB02214 mol2, pdbqt 217,66 -0,953 330,252 -3,6412 12 7 2 3,5019 0,9204724448179 BBB- HIA+ Caco2-
DB02215 mol2, pdbqt 179,54 -2,156 225,243 0,9035 5 2 0 -10,256 0,473689647362623 BBB+ HIA+ Caco2-
DB02216 mol2, pdbqt 102,13 -0,781 135,186 -2,8419 3 2 0 -6,6564 0,493834492067041 BBB+ HIA+ Caco2-
DB02217 mol2, pdbqt 268,89 -2,721 410,318 -2,2225 10 3 0 -6,642 0,416565181678344 BBB+ HIA- Caco2-
DB02218 mol2, pdbqt 215,64 -0,014 321,325 -3,5029 9 8 1 1,8088 0,877779897817019 BBB- HIA- Caco2-
DB02219 mol2, pdbqt 168,97 -1,537 221,32 -1,6771 4 2 0 -13,59 0,483708048096332 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1881 to 1900 of 6870
These data are only available for scientific research purposes.