UCSF

ZINC04555707

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 8 Yes

Popular Name: 2-Ethyl-4-methylimidazole 2-Ethyl-4-methylimidazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 26227-66-7 , 931-36-2 , [931-36-2]

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) 0.81 3.61 -26.38 2 2 1 30 111.168 1 ↓
Ref Reference (pH 7) 0.81 3.64 -26.38 2 2 1 30 111.168 1 ↓
Mid Mid (pH 6-8) 0.81 3.2 -6.33 1 2 0 29 110.16 1 ↓
Mid Mid (pH 6-8) 0.81 3.21 -6.68 1 2 0 29 110.16 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 292-295? Alfa-Aesar
Boiling_Point 292-295° Alfa-Aesar
Melting_Point 45-49? Alfa-Aesar
Melting_Point 45-49° Alfa-Aesar
Purity 97 Fluorochem

Activity (Go SEA)

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