UCSF

ZINC00279972

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 11 Yes

Popular Name: 1-Isopropyl-1H-pyrazole-4-carboxylic acid 1-Isopropyl-1H-pyrazole-4-carbox…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 436096-96-7 , [436096-96-7]

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) 0.63 3.32 -49.96 0 4 -1 58 153.161 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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