UCSF

ZINC08701312

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 17 No

Popular Name: 3-Hydroxy-5-(4-isopropylphenyl)cyclohex-2-en-1-one 3-Hydroxy-5-(4-isopropylphenyl)c…

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CAS Numbers: , 111945-86-9 , 27463-47-4

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) 3.65 7.33 -11.44 1 2 0 37 230.307 2 ↓
Mid Mid (pH 6-8) 3.65 8.4 -41.26 0 2 -1 40 229.299 2 ↓
Mid Mid (pH 6-8) 2.90 8.43 -9.59 0 2 0 34 230.307 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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