UCSF

ZINC34321139

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 16 No

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

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CAS Numbers: , 1255147-00-2

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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) 3.05 7.74 -41.34 0 2 -1 40 215.272 2 ↓
Ref Reference (pH 7) 3.05 7.74 -41.37 0 2 -1 40 215.272 2 ↓
Mid Mid (pH 6-8) 2.31 7.94 -9.75 0 2 0 34 216.28 2 ↓
Mid Mid (pH 6-8) 3.05 6.01 -8.89 1 2 0 37 216.28 2 ↓
Mid Mid (pH 6-8) 3.05 6.01 -8.86 1 2 0 37 216.28 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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