UCSF

ZINC10473497

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2007 11 Yes

Popular Name: 2-(1H-Pyrazol-1-yl)butanoic acid 2-(1H-Pyrazol-1-yl)butanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 10199-61-8 , 923526-87-8 , [923526-87-8]

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) 0.50 3.33 -41 0 4 -1 58 153.161 3 ↓

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% )