UCSF

ZINC19801050

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 13 Yes

Popular Name: 2-ethyl-4-phenylimidazole 2-ethyl-4-phenylimidazole

Find On: PubMed — Wikipedia — Google

CAS Number: 13739-51-0

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) 2.26 6.6 -29.57 2 2 1 30 173.239 2 ↓
Mid Mid (pH 6-8) 2.26 6.16 -6.57 1 2 0 29 172.231 2 ↓
Mid Mid (pH 6-8) 2.26 6.19 -8.6 1 2 0 29 172.231 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5998424; US6060491; WO1998057937A2; WO1998057951A1 IBM Patent Data
PUBCHEM_PATENT_ID US6043254; WO1999051590A1 IBM Patent Data

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