UCSF

ZINC13281442

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 1-(3-Methyl-2-pyridyl)-2-imidazolidone; 2-Imidazolidinone, 1-(3-methyl-2-pyridyl)-; LS-79544; Pyridine, 2-(2-imidazolidonyl)-3-methyl-; Pyridine, 3-methyl-2-(2-imidazolidonyl)- 1-(3-Methyl-2-pyridyl)-2-imidazo…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.71 3.4 -15.16 1 4 0 45 177.207 1 ↓
Lo Low (pH 4.5-6) 0.71 3.69 -34.75 2 4 1 46 178.215 1 ↓

Activity (Go SEA)

Rings

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

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