UCSF

ZINC05495314

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 13 Yes

Popular Name: 1-Acetyl-piperidine-4-carboxylic acid methyl ester 1-Acetyl-piperidine-4-carboxylic…

Find On: PubMed — Wikipedia — Google

CAS Number: 126291-66-5

Other Names:

MFCD02862113

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 4.27 -11.26 0 4 0 47 185.223 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0985671A1; EP0992240A1; EP1048666A1; US6018046 IBM Patent Data

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

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