• Drug Bank
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Records 2861 to 2880 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
DB03253 mol2, pdbqt 87,52 -0,802 100,164 -0,5973 2 2 0 -2,375 0,535340942729247 BBB+ HIA+ Caco2+
DB03254 mol2, pdbqt 121,35 -2,209 144,177 1,57 2 1 0 0,91015 0,813065014832326 BBB+ HIA+ Caco2-
DB03255 mol2, pdbqt 20,23 -1,32 94,1126 1,3139 1 1 0 -2,2721 6,88657751502231E-02 BBB+ HIA+ Caco2+
DB03255 mol2, pdbqt 79,61 -1,32 94,1126 1,3139 1 1 0 -2,2721 6,88657751502231E-02 BBB+ HIA+ Caco2+
DB03256 mol2, pdbqt 340,48 -3,18 473,445 -1,5719 14 8 2 -6,5425 0,367500146121645 BBB- HIA- Caco2-
DB03257 mol2, pdbqt 230,12 -1,83 301,338 -0,0899 7 2 0 -3,4832 0,481748219473452 BBB+ HIA+ Caco2-
DB03258 mol2, pdbqt 280,62 2,602 467,156 -10,401 16 6 2 -32,472 0,39921929317895 BBB+ HIA- Caco2-
DB03259 mol2, pdbqt 176,56 -4,582 255,1 3,8394 2 2 0 -1,9236 0,387935269944528 BBB+ HIA+ Caco2+
DB03260 mol2, pdbqt 113,1 -1,202 116,207 0,1458 2 2 0 -10,131 0,294112837592962 BBB+ HIA+ Caco2+
DB03262 mol2, pdbqt 298,1 -2,978 457,551 0,9355 9 2 0 4,3299 0,753461112320637 BBB+ HIA+ Caco2-
DB03263 mol2, pdbqt 227,31 0,23 358,363 -3,4668 10 8 1 -2,1609 0,507630943816873 BBB+ HIA- Caco2-
DB03264 mol2, pdbqt 671,28 -1,683 949,844 -5,6499 24 9 3 -64,38 0,246729465978154 BBB- HIA+ Caco2-
DB03266 mol2, pdbqt 93,86 -1,21 100,117 0,0624 2 0 0 -7,2764 6,36388956755719E-02 BBB+ HIA+ Caco2+
DB03267 mol2, pdbqt 311,02 -4,167 395,462 3,0882 8 2 0 1,1524 0,621059434921712 BBB+ HIA+ Caco2-
DB03268 mol2, pdbqt 429,43 -6,044 555,629 3,6575 9 3 1 0,42553 0,303497678897017 BBB- HIA- Caco2-
DB03269 mol2, pdbqt 215,64 -0,014 321,325 -3,5029 9 8 1 1,8088 0,877779897817019 BBB- HIA- Caco2-
DB03270 mol2, pdbqt 123,06 -2,143 193,173 0,6252 3 1 0 -2,9983 0,50014122552829 BBB+ HIA+ Caco2+
DB03272 mol2, pdbqt 227,2 -4,86 401,541 3,2915 4 1 0 -9,3087 0,250197385638354 BBB+ HIA+ Caco2+
DB03273 mol2, pdbqt 180,07 -2,376 265,228 -1,5959 9 3 0 2,3114 0,895998980523235 BBB+ HIA+ Caco2-
DB03274 mol2, pdbqt 150,24 -1,561 212,204 -0,858 6 2 0 0,80636 0,818585683653262 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2861 to 2880 of 6870
These data are only available for scientific research purposes.