• Drug Bank
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 of 344
Records 3721 to 3740 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
DB04187 mol2, pdbqt 363,76 -3,781 501,558 -1,0493 10 6 2 -11,354 0,330807778573951 BBB- HIA- Caco2-
DB04188 mol2, pdbqt 193,1 -1,512 192,305 1,2904 2 2 0 -2,3676 0,521975948084747 BBB+ HIA+ Caco2+
DB04189 mol2, pdbqt 194,75 -0,117 246,266 -3,1661 8 6 1 0,29748 0,766034319664383 BBB- HIA- Caco2-
DB04190 mol2, pdbqt 479,53 -5,459 636,743 3,6258 9 5 1 1,2846 0,258500350791941 BBB+ HIA+ Caco2-
DB04191 mol2, pdbqt 459,82 -3,52 577,72 0,0643 12 6 3 -0,1201 0,426062165907413 BBB- HIA- Caco2-
DB04193 mol2, pdbqt 92,49 -0,169 119,119 -3,4634 4 3 0 -12,883 0,495418783178329 BBB- HIA+ Caco2-
DB04194 mol2, pdbqt 427,32 -0,163 627,595 -5,7457 19 11 3 0,279 0,460268369256641 BBB- HIA- Caco2-
DB04195 mol2, pdbqt 168,3 1,584 274,161 -5,6003 9 6 1 -20,347 0,290438499321931 BBB+ HIA- Caco2-
DB04196 mol2, pdbqt 226,85 -3,259 312,288 -0,2218 9 4 0 -0,22761 0,634366074844705 BBB+ HIA+ Caco2-
DB04197 mol2, pdbqt 97,33 -1,192 133,174 -1,7734 5 4 0 -1,2337 0,602102614955225 BBB+ HIA+ Caco2-
DB04198 mol2, pdbqt 181,37 -0,367 268,228 -3,341 9 5 0 2,4663 0,928238361805256 BBB+ HIA+ Caco2-
DB04199 mol2, pdbqt 201,39 0,249 270,217 -2,3852 7 3 0 -33,993 0,174119431362615 BBB+ HIA- Caco2-
DB04200 mol2, pdbqt 270,77 -3,007 358,389 2,5708 6 2 0 0,39139 0,664408775892458 BBB+ HIA+ Caco2+
DB04201 mol2, pdbqt 325,56 -1,503 484,365 -6,8637 16 6 2 -43,563 0,381006708726476 BBB+ HIA- Caco2-
DB04202 mol2, pdbqt 200,59 -3,337 268,267 2,2486 4 1 0 0,036465 0,392363791628139 BBB+ HIA+ Caco2+
DB04203 mol2, pdbqt 112,13 -1,41 371,79 -0,5303 4 2 0 -2,9935 0,144451765621432 BBB+ HIA+ Caco2+
DB04204 mol2, pdbqt 307,22 -5,24 470,291 -0,0896 6 4 0 -22,744 0,285056593976416 BBB+ HIA- Caco2-
DB04205 mol2, pdbqt 248,69 2,046 402,188 -7,7385 13 5 1 -15,031 0,440762919941511 BBB+ HIA- Caco2-
DB04206 mol2, pdbqt 155,07 -2,116 205,216 -2,2278 5 3 0 -10,243 0,479725923164617 BBB+ HIA+ Caco2-
DB04207 mol2, pdbqt 213,34 -0,869 276,288 -4,8702 8 5 0 -16,723 0,480187827339833 BBB- HIA- Caco2-
Page 
 of 344
Records 3721 to 3740 of 6870
These data are only available for scientific research purposes.