UCSF

ZINC52396069

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 17 Yes

Popular Name: 1-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]piperidin-4-one 1-[2-(2,5-dimethyl-1H-pyrrol-3-y…

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) 0.35 4.48 -9.17 1 4 0 53 234.299 3 ↓
Mid Mid (pH 6-8) 0.35 6.63 -43.73 2 4 1 54 235.307 3 ↓

Activity (Go SEA)

Rings

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

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