UCSF

ZINC69876692

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 26 Yes

Popular Name: 7-[2-[(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]ethyl]-1,3-dimethyl-purine-2,6-dione 7-[2-[(6-chloro-3H-imidazo[4,5-b…

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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) 2.02 8.67 -19.45 1 9 0 103 391.844 4 ↓
Mid Mid (pH 6-8) 2.02 8.21 -46.03 0 9 -1 102 390.836 4 ↓

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

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