UCSF

ZINC37625784

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 11 No

Popular Name: (E)-1-cyclohexen-1-ylbut-2-en-1-one (E)-1-cyclohexen-1-ylbut-2-en-1-one

Find On: PubMed — Wikipedia — Google

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) 2.48 6.57 -5.34 0 1 0 17 150.221 2 ↓

Vendor Notes

Note Type Comments Provided By
bp 128 - 129 (p=18 torr) MolMall (formerly Molecular Diversity Preservation International)
PUBCHEM_PATENT_ID EP0374269A1; US4775735 IBM Patent Data

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