UCSF

ZINC18190870

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 12 Yes

Popular Name: 3-tert-butyl-1H-pyrazole-5-carboxylic acid 3-tert-butyl-1H-pyrazole-5-carbo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 83405-71-4 , [1258323-01-1] , [83405-71-4]

Download: MOL2 SDF SMILES Flexibase

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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) 2.08 4.02 -42.3 1 4 -1 69 167.188 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 195 - 197 Enamine Building Blocks
MP 195...197 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1999054333A1 IBM Patent Data

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