UCSF

ZINC00402258

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 Yes

Popular Name: ethyl 2-(1H-pyrazol-1-yl)acetate ethyl 2-(1H-pyrazol-1-yl)acetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10199-61-8 , [10199-61-8]

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) 0.63 4.27 -11.87 0 4 0 44 154.169 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4146721; US4325962 IBM Patent Data

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

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