UCSF

ZINC06751610

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 13 Yes

Popular Name: Methyl 1H-indazole-4-carboxylate Methyl 1H-indazole-4-carboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 192945-49-6 , [192945-49-6]

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) 1.41 3.65 -8.88 1 4 0 55 176.175 2 ↓
Ref Reference (pH 7) 1.41 3.75 -8.6 1 4 0 55 176.175 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Matrix Scientific
PUBCHEM_PATENT_ID EP0939757A1; US5760028; WO1997023480A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

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