UCSF

ZINC13014463

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 29 Yes

Popular Name: 7-(3-chloro-4-ethoxy-phenyl)-6-(2-hydroxyethyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione 7-(3-chloro-4-ethoxy-phenyl)-6-(…

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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) 2.51 9.46 -13.48 1 9 0 96 417.853 5 ↓
Mid Mid (pH 6-8) 2.51 9.93 -40.11 2 9 1 97 418.861 5 ↓

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

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