UCSF

ZINC02547954

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 20 Yes

Popular Name: 5-Benzyloxy-1H-indazole-3-carboxylic acid 5-Benzyloxy-1H-indazole-3-carbox…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 177941-16-1 , [177941-16-1]

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) 3.07 6.98 -51.45 1 5 -1 78 267.264 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0708105A1; EP0708105B1; US5684003 IBM Patent Data

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

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