UCSF

ZINC50888564

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2010 12 Yes

Popular Name: Ethyl 3-oxopiperidine-4-carboxylate Ethyl 3-oxopiperidine-4-carboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 27578-61-6 , 4644-61-5 , 70637-75-1 , 72738-09-1 , N/A , [70637-75-1] , [72738-09-1]

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) -0.34 3.74 -54.1 2 4 1 60 172.204 3 ↓
Mid Mid (pH 6-8) -0.34 2.36 -9.79 1 4 0 55 171.196 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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