UCSF

ZINC31776796

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Methyl 3-bromoindazole-5-carboxylate Methyl 3-bromoindazole-5-carboxy…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1086391-06-1 , [1086391-06-1]

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) 2.71 4.3 -7.72 1 4 0 55 255.071 2 ↓
Ref Reference (pH 7) 2.71 4.32 -6.68 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

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

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