UCSF

ZINC05612486

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 10 Yes

Popular Name: 5-methyl-1H-indazole 5-methyl-1H-indazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1776-37-0 , [1776-37-0]

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) 2.05 3.85 -5.23 1 2 0 29 132.166 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 111? Alfa-Aesar
Melting_Point 111° Alfa-Aesar
Boiling_Point 165-190?/1.5mm Alfa-Aesar
Boiling_Point 165-190°/1.5mm Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP0511879A1; EP0511879B1; EP0670831A1; WO1995009159A1 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.