UCSF

ZINC37383720

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 No

Popular Name: (2S)-3-(1H-imidazol-4-yl)-2-(3-methyl-2,5-dioxo-pyrrol-1-yl)propanoic (2S)-3-(1H-imidazol-4-yl)-2-(3-m…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) -0.57 5.7 -54.3 1 7 -1 108 248.218 4 ↓
Mid Mid (pH 6-8) -0.57 6.41 -61.64 2 7 0 109 249.226 4 ↓

Activity (Go SEA)

Rings

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

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