UCSF

ZINC05829557

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 14 No

Popular Name: 1-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-2-en-1-one 1-(2,6,6-Trimethylcyclohex-2-en-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 43052-87-5 , 57549-92-5 , [43052-87-5]

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) 3.61 8.15 -4.13 0 1 0 17 192.302 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0326869A2; EP0326869B1; US4990496; US5041678 IBM Patent Data

Activity (Go SEA)

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