UCSF

ZINC02018343

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 9 No

Popular Name: 6-Methyl-3,5-heptadien-2-one 6-Methyl-3,5-heptadien-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1604-28-0 , [1604-28-0]

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) 2.05 2.52 -5.33 0 1 0 17 124.183 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Boiling_Point 95-96?/20mm Alfa-Aesar
Boiling_Point 95-96°/20mm Alfa-Aesar

Activity (Go SEA)

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