UCSF

ZINC59415951

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 29 No

Popular Name: (2R,5R,6S)-6-[1-methyl-1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-3,7-dioxo-1-azabicyclo[3.2.0]hept (2R,5R,6S)-6-[1-methyl-1-[(4-nit…

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) -0.84 7.63 -69.24 0 11 -1 159 405.339 8 ↓
Hi High (pH 8-9.5) 1.75 7.89 -146.85 0 11 -2 165 404.331 8 ↓

Activity (Go SEA)

Rings

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

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