UCSF

ZINC29786463

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2009 8 Yes

Popular Name: 2,4,5-TRIMETHYL-3-OXAZOLINE 2,4,5-TRIMETHYL-3-OXAZOLINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 22694-96-8 , [22694-96-8]

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) 1.18 -0.81 -4.89 0 2 0 22 113.16 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 45-47?/12mm Alfa-Aesar
Boiling_Point 45-47°/12mm Alfa-Aesar

Activity (Go SEA)

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

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