UCSF

ZINC00158878

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 14 Yes

Popular Name: 4-(1H-pyrazol-1-yl)benzoic acid 4-(1H-pyrazol-1-yl)benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1185294-89-6 , 16209-00-0 , 253315-22-9 , [16209-00-0]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.57 5.33 -50.89 0 4 -1 58 187.178 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 266? Alfa-Aesar
MP 267 - 269 Enamine Building Blocks
MP 267...269 Enamine Building Blocks
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% )

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