UCSF

ZINC39268946

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 14 Yes

Popular Name: Methyl 5-bromo-1H-indazole-3-carboxylate Methyl 5-bromo-1H-indazole-3-car…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 78155-74-5 , [78155-74-5]

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) 2.48 4.44 -8.46 1 4 0 55 255.071 2 ↓
Ref Reference (pH 7) 2.48 4.41 -6.47 1 4 0 55 255.071 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1997049698A1 IBM Patent Data

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Rings

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