UCSF

ZINC16698314

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 13 No

Popular Name: 1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde 1-(pyridin-2-yl)-1H-pyrazole-4-c…

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CAS Numbers: 896717-66-1 , [896717-66-1]

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) 0.90 4.78 -12.14 0 4 0 48 173.175 2 ↓
Lo Low (pH 4.5-6) 0.90 5.03 -37.42 1 4 1 49 174.183 2 ↓

Vendor Notes

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

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