UCSF

ZINC13887180

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2008 25 Yes

Popular Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(6,7-dihydroxyheptyl)-3-ethyl-1-propyl-; 3,7-Dihydro-7-(6,7-dihydroxyheptyl)-3-ethyl-1-propyl-1H-purine-2,6-dione; LS-126773 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) 1.59 6.01 -16.03 2 8 0 102 352.435 10 ↓
Mid Mid (pH 6-8) 1.59 6.5 -52.65 3 8 1 104 353.443 10 ↓

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

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