UCSF

ZINC04112869

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 15 Yes

Popular Name: 5-(2-Chlorophenyl)cyclohexane-1,3-dione 5-(2-Chlorophenyl)cyclohexane-1,…

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CAS Numbers: 55579-68-5 , [55579-68-5]

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) 2.29 6.71 -42.98 0 2 -1 40 221.663 1 ↓
Mid Mid (pH 6-8) 2.30 6.71 -42.97 0 2 -1 40 221.663 1 ↓
Mid Mid (pH 6-8) 2.29 4.99 -9.92 1 2 0 37 222.671 1 ↓
Mid Mid (pH 6-8) 2.29 5 -9.91 1 2 0 37 222.671 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% )