UCSF

ZINC20176423

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 17 Yes

Popular Name: 5-(4-Ethoxyphenyl)cyclohexane-1,3-dione 5-(4-Ethoxyphenyl)cyclohexane-1,…

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CAS Numbers: , 762243-28-7

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) 2.57 6.52 -41.94 0 3 -1 49 231.271 3 ↓
Mid Mid (pH 6-8) 2.57 6.68 -41.81 0 3 -1 49 231.271 3 ↓
Mid Mid (pH 6-8) 1.82 6.72 -11.31 0 3 0 43 232.279 3 ↓
Mid Mid (pH 6-8) 2.57 4.81 -10.51 1 3 0 47 232.279 3 ↓
Mid Mid (pH 6-8) 2.57 4.81 -10.5 1 3 0 47 232.279 3 ↓

Vendor Notes

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

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