UCSF

ZINC06677789

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 16 Yes

Popular Name: 5-(4-Chloro-phenyl)-1-methyl-1H-pyrazole-3-carboxylic acid 5-(4-Chloro-phenyl)-1-methyl-1H-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 957513-70-1 , [957513-70-1]

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) 2.55 0.62 -55.67 0 4 -1 58 235.65 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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