UCSF

ZINC12496212

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 8 No

Popular Name: Imidazole-4-acetaldehyde Imidazole-4-acetaldehyde

Find On: PubMed — Wikipedia — Google

CAS Number: 645-14-7

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) 0.16 2.54 -11.4 1 3 0 46 110.116 2 ↓
Mid Mid (pH 6-8) 0.16 3.02 -39.31 2 3 1 47 111.124 2 ↓
Mid Mid (pH 6-8) 0.17 2.93 -38.69 2 3 1 47 111.124 2 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links AMO1_ASPNG; AMOH_ARTGO; AOC1_HUMAN; AOC1_MOUSE; AOC1_PIG; AOC1_RAT ChEBI

Activity (Go SEA)

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

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