UCSF

ZINC00109071

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 15 No

Popular Name: 5-(3-chlorophenyl)cyclohexane-1,3-dione 5-(3-chlorophenyl)cyclohexane-1,…

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CAS Number: 55579-71-0

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) 2.79 -0.32 -9.89 1 2 0 37 222.671 1 ↓
Mid Mid (pH 6-8) 2.79 6.96 -40.92 0 2 -1 40 221.663 1 ↓
Mid Mid (pH 6-8) 2.05 7.02 -9.51 0 2 0 34 222.671 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.