UCSF

ZINC08699843

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 10 Yes

Popular Name: Methyl 3-methyl-1H-pyrazole-4-carboxylate Methyl 3-methyl-1H-pyrazole-4-ca…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 23170-45-8 , [23170-45-8]

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) 0.30 2.17 -8.64 1 4 0 55 140.142 2 ↓
Ref Reference (pH 7) 0.30 2.14 -6.75 1 4 0 55 140.142 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1992010098A1; WO1992011761A1 IBM Patent Data

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

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