UCSF

ZINC02556891

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 No

Popular Name: Methyl 3-oxoheptanoate Methyl 3-oxoheptanoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 39815-78-6 , [39815-78-6]

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) 1.25 6.12 -13.38 0 3 0 43 158.197 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 95 / 10 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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