UCSF

ZINC04353766

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 11 No

Popular Name: 2,4-Nonanedione 2,4-Nonanedione

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6175-23-1 , [6175-23-1]

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) 1.75 7.39 -13.84 0 2 0 34 156.225 6 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 100-103?/19mm Alfa-Aesar
Boiling_Point 100-103°/19mm Alfa-Aesar

Activity (Go SEA)

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