UCSF

ZINC13887173

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2008 24 Yes

Popular Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(5,6-dihydroxyhexyl)-3-ethyl-1-propyl-; 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-ethyl-1-propyl-1H-purine-2,6-dione; 3-Ethyl-7-(5,6-dihydroxyhexyl)-1-propylxanthine; LS-126783 1H-Purine-2,6-dione, 3,7-dihydro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.09 5.23 -14.82 2 8 0 102 338.408 9 ↓
Mid Mid (pH 6-8) 1.09 5.72 -52.46 3 8 1 104 339.416 9 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.