UCSF

ZINC38522899

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 12 No

Popular Name: 4-(3-oxocyclohexen-1-yl)butanal 4-(3-oxocyclohexen-1-yl)butanal

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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) 1.71 5.86 -10.6 0 2 0 34 166.22 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0293078A1; EP0358676A1; EP0487510A1; US5120843 IBM Patent Data

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