• Drug Bank
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Records 6581 to 6600 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
DB09102 mol2, pdbqt 174,64 -5,742 738,887 4,6938 14 4 2 -7,4305 0,137362717537871 BBB- HIA+ Caco2-
DB09110 mol2, pdbqt 101,55 -0,865 142,199 -1,3903 3 1 0 -11,851 0,492311852862301 BBB+ HIA+ Caco2-
DB09112 mol2, pdbqt 49,66 -0,353 47,0129 0,3386 3 1 0 -3,2801 0,184370844346791 BBB+ HIA+ Caco2+
DB09114 mol2, pdbqt 121,41 -6,354 735,056 9,1565 9 1 2 -55,843 8,07875843776114E-02 BBB+ HIA- Caco2-
DB09115 mol2, pdbqt 33,12 -4,058 396,945 2,5041 2 1 0 -0,72471 0,486753912695735 BBB+ HIA+ Caco2+
DB09117 mol2, pdbqt 27,69 -1,256 132,158 1,0389 3 0 0 -1,5954 0,568742350205586 BBB+ HIA+ Caco2+
DB09118 mol2, pdbqt 38,69 -3,713 234,294 3,5327 3 1 0 -3,367 0,245606636223424 BBB+ HIA+ Caco2+
DB09119 mol2, pdbqt 72,63 -4,631 296,325 2,9295 5 1 0 2,3381 0,68932922373959 BBB+ HIA+ Caco2+
DB09120 mol2, pdbqt 58,56 -3,318 305,416 3,8039 4 2 0 -10,379 0,389338197118093 BBB+ HIA+ Caco2+
DB09123 mol2, pdbqt 61,09 -4,111 311,424 3,2291 3 1 0 -5,5367 0,378925256365225 BBB+ HIA+ Caco2+
DB09124 mol2, pdbqt 34,14 -4,615 340,505 4,5153 2 0 0 0,54 0,177428818359085 BBB+ HIA+ Caco2+
DB09125 mol2, pdbqt 132,13 0,071 192,123 -2,1297 7 4 0 3,5617 0,582485462367696 BBB+ HIA- Caco2-
DB09128 mol2, pdbqt 73,05 -5,046 433,574 3,8983 5 1 0 2,7449 0,53364201009566 BBB+ HIA+ Caco2-
DB09131 mol2, pdbqt 0 -1,932 134,452 0,1692 0 0 0 -1 0,614117735101608 BBB+ HIA+ Caco2+
DB09132 mol2, pdbqt 162,16 2,678 404,418 -9,136 12 4 1 -3,494 0,452600048342219 BBB- HIA- Caco2-
DB09133 mol2, pdbqt 95,5 -5,024 613,902 1,5985 6 3 1 2,7991 0,257665006865364 BBB+ HIA- Caco2+
DB09134 mol2, pdbqt 199,89 -3,606 807,101 -1,8211 12 8 3 5,7441 0,460342976440651 BBB- HIA- Caco2-
DB09135 mol2, pdbqt 179,66 -4,113 791,102 -0,8944 11 7 3 5,5768 0,438236921366927 BBB- HIA- Caco2-
DB09136 mol2, pdbqt 141,1 -1,849 545,699 -0,2267 8 2 1 -12,975 5,76557412370982E-02 BBB+ HIA- Caco2-
DB09137 mol2, pdbqt 106,94 -2,497 387,229 -0,4401 7 3 0 -8,3148 0,258520666697735 BBB- HIA- Caco2-
Page 
 of 344
Records 6581 to 6600 of 6870
These data are only available for scientific research purposes.