UCSF

ZINC04552334

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 10 No

Popular Name: 2,4-Octanedione 2,4-Octanedione

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CAS Numbers: 14090-87-0 , 445377-89-9

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) 1.24 6.61 -13.89 0 2 0 34 142.198 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 97-99?/27mm Alfa-Aesar
Boiling_Point 97-99°/27mm Alfa-Aesar

Activity (Go SEA)

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