UCSF

ZINC01529617

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 8 No

Popular Name: 5-oxopentanoate 5-oxopentanoate

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CAS Number: 5746-02-1

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) 0.42 1.09 -46.71 0 3 -1 57 115.108 4 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links DAVD_PSEAE; DAVD_PSEPK; DAVT_PSEAE; DAVT_PSEPK ChEBI
PUBCHEM_PATENT_ID EP0600717A1; EP0735047A1; EP0735047B1; EP0790235A1; EP0844000A1; US5556864; US5712263; US5843983 IBM Patent Data
PUBCHEM_PATENT_ID US4235999 IBM Patent Data
Patent Database Links WO2005041853; WO2007105203 ChEBI

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

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