• Drug Bank
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 of 344
Records 5741 to 5760 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
DB08106 mol2, pdbqt 299,66 -3,801 409,458 2,3463 8 3 0 -5,434 0,225146373386155 BBB+ HIA+ Caco2-
DB08107 mol2, pdbqt 313,42 -4,071 423,485 2,8007 8 3 0 -7,584 0,349796778245519 BBB+ HIA+ Caco2-
DB08108 mol2, pdbqt 341,35 -5,057 468,485 2,2849 9 3 0 -8,9854 0,286780332434863 BBB+ HIA+ Caco2-
DB08109 mol2, pdbqt 245,36 -3,075 309,404 -0,2316 5 2 0 -7,2893 0,267425645144447 BBB- HIA+ Caco2-
DB08110 mol2, pdbqt 202,53 -1,971 265,308 -1,4108 5 2 0 -3,6582 0,486209876267825 BBB- HIA+ Caco2-
DB08111 mol2, pdbqt 234,42 -4,05 302,336 2,2819 5 1 0 2,5964 0,770645595345852 BBB+ HIA+ Caco2-
DB08112 mol2, pdbqt 347,7 -5,371 486,475 2,3857 9 3 0 -6,1332 0,262499723167493 BBB+ HIA+ Caco2-
DB08113 mol2, pdbqt 154,71 -2,673 195,224 1,6194 3 1 0 1,281 0,827137924476475 BBB+ HIA+ Caco2-
DB08114 mol2, pdbqt 150 -3,246 190,269 2,5057 2 1 0 1,0875 0,769376772279379 BBB+ HIA+ Caco2+
DB08115 mol2, pdbqt 185,41 -3,197 229,278 1,8469 3 1 0 -3,611 0,165008758143645 BBB+ HIA+ Caco2+
DB08116 mol2, pdbqt 345,58 -4,357 490,488 -0,3157 11 5 1 1,2941 0,563150307057495 BBB- HIA- Caco2-
DB08118 mol2, pdbqt 269,14 -3,457 360,465 2,4432 7 2 0 4,9781 0,290514429174906 BBB+ HIA+ Caco2+
DB08119 mol2, pdbqt 280,69 -3,771 372,386 2,3179 5 2 0 -32,954 0,39105764056524 BBB+ HIA+ Caco2-
DB08120 mol2, pdbqt 166,55 -3,395 207,361 1,8471 2 1 0 -18,326 0,442288127535345 BBB+ HIA+ Caco2-
DB08121 mol2, pdbqt 253,14 -5,008 318,371 4,18 3 1 0 -1,9735 0,337871166873233 BBB+ HIA+ Caco2+
DB08122 mol2, pdbqt 237,2 -2,868 329,379 0,5618 6 3 0 5,0705 0,884878801414377 BBB- HIA+ Caco2-
DB08123 mol2, pdbqt 278,52 -4,512 401,47 2,7797 8 3 0 2,2457 0,647273268681694 BBB+ HIA+ Caco2-
DB08124 mol2, pdbqt 275,71 -5,572 393,422 1,4874 7 2 0 -0,90516 0,230887364878134 BBB- HIA+ Caco2-
DB08125 mol2, pdbqt 279,4 -4,381 398,466 1,3608 7 3 0 6,5774 0,461440083730802 BBB- HIA+ Caco2-
DB08126 mol2, pdbqt 253,77 -2,593 357,393 -0,403 8 5 0 5,9668 0,882228769561126 BBB- HIA+ Caco2-
Page 
 of 344
Records 5741 to 5760 of 6870
These data are only available for scientific research purposes.