UCSF

ZINC31776814

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 14 Yes

Popular Name: Methyl 3-bromoindazole-6-carboxylate Methyl 3-bromoindazole-6-carboxy…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 192945-56-5 , [192945-56-5]

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) 2.71 4.25 -6.17 1 4 0 55 255.071 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP1054871A2; US5760028; WO1999050249A2 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.