UCSF

ZINC18123095

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 18 No

Popular Name: 5-(4-tert-Butylphenyl)cyclohexane-1,3-dione 5-(4-tert-Butylphenyl)cyclohexan…

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CAS Numbers: , 946686-29-9

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) 3.84 6.91 -8.71 1 2 0 37 244.334 2 ↓
Mid Mid (pH 6-8) 3.84 7.68 -43.3 0 2 -1 40 243.326 2 ↓
Mid Mid (pH 6-8) 3.10 8.82 -9.57 0 2 0 34 244.334 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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