UCSF

ZINC02168402

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 8 Yes

Popular Name: 3-Methylhexan-2-one 3-Methylhexan-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2550-21-2 , 79980-77-1 , [2550-21-2]

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) 2.04 2.2 -4.68 0 1 0 17 114.188 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 145 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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