UCSF

ZINC02738050

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 7 No

Popular Name: 1H-Pyrazole-4-carbaldehyde 1H-Pyrazole-4-carbaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1197230-88-8 , 35344-95-7 , [35344-95-7]

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) 0.04 0.71 -8.04 1 3 0 46 96.089 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 71-73° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
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.