• Drug Bank
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Records 2421 to 2440 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
DB02785 mol2, pdbqt 547,58 -3,189 727,348 2,5386 13 4 2 5,4098 0,472934354509905 BBB- HIA+ Caco2-
DB02786 mol2, pdbqt 123,38 -0,822 192,141 -1,5567 5 4 0 -0,36863 0,690147721199972 BBB+ HIA+ Caco2-
DB02787 mol2, pdbqt 165,34 0,44 225,24 -3,4935 7 7 1 2,1232 0,742066648660809 BBB- HIA+ Caco2-
DB02788 mol2, pdbqt 74,62 -0,777 88,1055 -0,1888 2 1 0 -2,381 0,535004885833594 BBB+ HIA+ Caco2+
DB02789 mol2, pdbqt 238,49 -4,491 316,483 3,8753 2 1 0 0,73219 0,340374698493354 BBB+ HIA+ Caco2+
DB02790 mol2, pdbqt 306,83 -0,167 480,258 -5,2301 14 5 1 -31,359 0,388191235435303 BBB+ HIA- Caco2-
DB02792 mol2, pdbqt 893,65 -8,707 1303,13 -4,1373 29 18 3 5,7535 0,204471151977011 BBB- HIA- Caco2-
DB02793 mol2, pdbqt 163,51 -1,045 226,183 -0,4523 6 3 0 -5,3433 0,312090042592876 BBB- HIA+ Caco2-
DB02794 mol2, pdbqt 516,29 -0,861 752,625 -7,2262 21 13 3 -28,582 0,259453750013417 BBB- HIA- Caco2-
DB02795 mol2, pdbqt 119,62 -1,647 152,149 1,0747 3 1 0 -1,597 0,564461071432822 BBB+ HIA+ Caco2+
DB02796 mol2, pdbqt 180,61 -0,803 267,24 -1,6396 8 5 0 -2,0936 0,534511780082209 BBB+ HIA+ Caco2-
DB02797 mol2, pdbqt 124,23 0,645 166,928 0,4614 5 2 0 -18,69 0,49200148625682 BBB+ HIA- Caco2+
DB02798 mol2, pdbqt 227,2 -2,3 345,251 -3,4899 11 4 1 -22,209 0,45150974045851 BBB+ HIA+ Caco2-
DB02799 mol2, pdbqt 290,09 -3,346 383,403 0,4418 8 1 0 -2,8307 0,435148884356934 BBB+ HIA+ Caco2+
DB02800 mol2, pdbqt 340,59 -3,33 473,445 -2,6283 14 8 2 -6,7002 6,28713406336154E-02 BBB- HIA- Caco2-
DB02801 mol2, pdbqt 118,82 -0,309 174,151 -1,758 5 4 0 0,70865 0,822612694981475 BBB+ HIA+ Caco2-
DB02802 mol2, pdbqt 231,75 -0,859 344,275 -2,5109 11 6 2 -9,2089 0,462843928964396 BBB+ HIA- Caco2-
DB02803 mol2, pdbqt 125,98 -1,483 152,192 0,925 2 2 0 -5,1202 0,29271050743285 BBB+ HIA+ Caco2+
DB02804 mol2, pdbqt 445,06 -4,438 583,683 3,1185 9 3 1 5,5495 0,483704326911313 BBB- HIA+ Caco2-
DB02805 mol2, pdbqt 203,3 0,925 324,181 -5,8806 11 5 1 -20,406 0,472329092074058 BBB+ HIA- Caco2-
Page 
 of 344
Records 2421 to 2440 of 6870
These data are only available for scientific research purposes.