UCSF

ZINC02575259

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 No

Popular Name: 1-Phenyl-1,4-pentanedione 1-Phenyl-1,4-pentanedione

Find On: PubMed — Wikipedia — Google

CAS Number: 583-05-1

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) 1.55 6.38 -6.98 0 2 0 34 176.215 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 158-162?/12mm Alfa-Aesar
Boiling_Point 158-162°/12mm Alfa-Aesar

Activity (Go SEA)

Rings

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