• Drug Bank
Page 
 of 344
Records 2821 to 2840 of 6870
 
Molecule Name
Download
TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB03213 mol2, pdbqt 238,69 -1,244 348,369 -0,8556 9 6 1 1,3886 0,826656690741236 BBB+ HIA+ Caco2-
DB03214 mol2, pdbqt 83,16 -0,615 101,105 -2,7222 3 2 0 -9,7123 0,395830489416699 BBB+ HIA+ Caco2-
DB03215 mol2, pdbqt 125,94 -0,831 173,167 -3,1097 5 3 0 -1,4959 0,581227480530587 BBB+ HIA- Caco2-
DB03216 mol2, pdbqt 165,06 -1,452 233,23 -0,692 7 3 0 1,7006 0,890601318534856 BBB+ HIA+ Caco2-
DB03217 mol2, pdbqt 163,18 -1,987 238,178 -0,903 4 3 0 -12,318 0,229214216831089 BBB+ HIA+ Caco2-
DB03218 mol2, pdbqt 182,56 -0,612 264,233 -2,4793 9 6 1 -2,043 0,538362308698843 BBB- HIA- Caco2-
DB03219 mol2, pdbqt 537,35 -6,012 769,838 2,9882 15 5 2 6,6531 0,18541288665235 BBB- HIA- Caco2-
DB03220 mol2, pdbqt 252,98 -3,009 323,395 2,3606 5 2 0 1,5227 0,469738498354686 BBB+ HIA+ Caco2-
DB03221 mol2, pdbqt 263,68 -2,703 403,503 0,6632 8 2 0 4,8502 0,831590447513672 BBB+ HIA+ Caco2-
DB03222 mol2, pdbqt 296,44 1,008 491,182 -9,2171 17 6 2 -28,593 0,381139167741148 BBB+ HIA+ Caco2-
DB03223 mol2, pdbqt 240,59 0,776 298,366 -5,4113 8 4 0 -9,4904 0,478865257605568 BBB- HIA- Caco2-
DB03224 mol2, pdbqt 431,19 -6,084 568,672 -2,0667 9 7 2 -2,5166 0,219510515568091 BBB- HIA- Caco2-
DB03225 mol2, pdbqt 156,31 -2,066 204,228 -1,5098 4 3 0 -10,243 0,480226096575501 BBB+ HIA+ Caco2-
DB03226 mol2, pdbqt 63,07 -1,217 100,039 0,5348 1 1 0 -11,266 0,105759123403765 BBB+ HIA+ Caco2+
DB03227 mol2, pdbqt 220,37 0,614 335,228 -4,8904 10 5 0 -21,095 0,468732357264295 BBB+ HIA- Caco2-
DB03228 mol2, pdbqt 243,05 -4,063 351,145 0,0713 9 1 0 -1,2098 0,105547598693372 BBB+ HIA+ Caco2-
DB03229 mol2, pdbqt 106,13 -1,081 130,142 0,2294 3 1 0 -12,716 0,490173429836454 BBB+ HIA+ Caco2-
DB03230 mol2, pdbqt 264,72 -1,87 389,304 -2,8534 12 4 1 -33,776 0,438181796831207 BBB+ HIA+ Caco2-
DB03231 mol2, pdbqt 366,82 -5,952 499,554 2,8342 10 4 0 3,9879 0,27062173199012 BBB+ HIA+ Caco2-
DB03232 mol2, pdbqt 594,03 -9,091 639,061 18,539 1 1 2 -3,3766 4,86621729341328E-02 BBB+ HIA+ Caco2+
Page 
 of 344
Records 2821 to 2840 of 6870
These data are only available for scientific research purposes.