UCSF

ZINC12505530

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 10 Yes

Popular Name: 3-(dimethoxymethyl)-1h-pyrazole 3-(dimethoxymethyl)-1h-pyrazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 111573-59-2 , 955892-12-3 , [111573-59-2]

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) 0.47 0.49 -8.97 1 4 0 47 142.158 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
Boiling_Point 92-94?/0.23mm Alfa-Aesar
Boiling_Point 92-94°/0.23mm Alfa-Aesar
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5658926 IBM Patent Data

Activity (Go SEA)

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

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