UCSF

ZINC01532231

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 15 No

Popular Name: 4-(2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one 4-(2,5,6,6-Tetramethylcyclohex-2…

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CAS Numbers: 7779-30-8 , 79-69-6

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) 3.37 3.46 -4.72 0 1 0 17 206.329 2 ↓

Vendor Notes

Note Type Comments Provided By
Patent Database Links WO2007096409 ChEBI

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

No pre-computed analogs available. Try a structural similarity search.