UCSF

ZINC14909878

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2008 11 No

Popular Name: 1H-Indazole-3-carboxaldehyde 1H-Indazole-3-carboxaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 09/10/35 , 1186663-60-4 , 5235-10-9 , 89939-16-2 , [5235-10-9]

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) 1.66 2.89 -8.44 1 3 0 46 146.149 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0226624A1; EP0626963A1; EP0626963B1; EP0715628A1; US4851425; US5397787; US5663346; US5686234; US5962656; WO1996000226A1; WO2000012482A2; WO2000075139A2 IBM Patent Data
PUBCHEM_PATENT_ID US4181800; US4264498; US4304718; US4472309; US4576753 IBM Patent Data

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

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