UCSF

ZINC60583272

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2011 21 No

Popular Name: 1-[2-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one 1-[2-(1-isobutyl-4,5-dimethyl-im…

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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) 1.55 8.69 -25.29 1 5 1 56 310.443 5 ↓
Mid Mid (pH 6-8) 1.55 8.05 -13.64 0 5 0 55 309.435 5 ↓

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

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