• Drug Bank
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Records 2901 to 2920 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
DB03296 mol2, pdbqt 411,48 0,65 633,551 -7,4066 20 13 3 -4,5714 0,294375168557011 BBB- HIA- Caco2-
DB03297 mol2, pdbqt 121,95 -1,557 172,204 -0,3359 3 1 0 -10,732 0,486372583179658 BBB+ HIA+ Caco2-
DB03298 mol2, pdbqt 119,73 -0,21 174,092 -1,9311 4 2 0 -21,149 0,492811263755244 BBB+ HIA+ Caco2-
DB03299 mol2, pdbqt 190,69 -1,335 251,237 -0,2844 6 3 0 -4,9555 0,484030591190293 BBB+ HIA+ Caco2-
DB03300 mol2, pdbqt 431,18 -3,14 700,538 -11,089 21 9 3 -35,377 0,252440342908795 BBB+ HIA- Caco2-
DB03301 mol2, pdbqt 130,17 -2,376 148,204 2,6862 1 1 0 -4,9416 0,276764114017061 BBB+ HIA+ Caco2+
DB03302 mol2, pdbqt 162,95 -4,938 271,914 3,1378 2 0 0 -1,4151 7,07828051922764E-02 BBB+ HIA+ Caco2+
DB03303 mol2, pdbqt 128,02 0,165 180,155 -2,4736 6 5 0 -0,45433 0,684704258636902 BBB+ HIA+ Caco2-
DB03304 mol2, pdbqt 132,31 -1,807 179,182 -1,7851 6 4 0 3,4158 0,954104689233192 BBB+ HIA+ Caco2-
DB03305 mol2, pdbqt 143,93 0,107 173,215 -2,8152 5 4 0 -10,038 0,493575167656474 BBB+ HIA+ Caco2-
DB03306 mol2, pdbqt 161,53 -0,552 232,127 -2,0678 6 2 0 -22,603 0,487300522136944 BBB+ HIA+ Caco2-
DB03307 mol2, pdbqt 187,62 -3,215 265,296 0,4163 7 3 0 1,9255 0,840305106834246 BBB+ HIA+ Caco2+
DB03308 mol2, pdbqt 120,86 -1,381 146,189 -0,6516 4 3 0 -8,6006 0,489220587146578 BBB+ HIA+ Caco2-
DB03309 mol2, pdbqt 155,21 -1,267 207,293 -2,1315 4 2 0 -12,587 0,486811396570272 BBB+ HIA+ Caco2-
DB03310 mol2, pdbqt 438,84 -0,986 612,636 -9,2294 18 10 3 -18,898 0,298727316083903 BBB+ HIA- Caco2-
DB03311 mol2, pdbqt 438,99 -9,173 741,457 5,3829 10 3 2 2,6368 0,116095096890112 BBB- HIA+ Caco2-
DB03312 mol2, pdbqt 201,43 -1,937 333,137 -0,8213 7 3 0 -0,1575 0,670582377925854 BBB+ HIA+ Caco2-
DB03313 mol2, pdbqt 287,31 -1,219 415,422 -3,1497 11 4 1 -8,3207 0,428707008524227 BBB- HIA- Caco2-
DB03314 mol2, pdbqt 162,66 -2,38 222,218 -1,409 4 3 0 -11,583 0,474329938522953 BBB+ HIA+ Caco2-
DB03315 mol2, pdbqt 227,85 -0,138 363,222 -5,9705 13 6 2 -19,731 0,457662028890363 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2901 to 2920 of 6870
These data are only available for scientific research purposes.