UCSF

ZINC39390763

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 15 No

Popular Name: [4-acetyl-2-(chloromethyl)phenyl] [4-acetyl-2-(chloromethyl)phenyl]

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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) 1.89 7.36 -11.09 0 3 0 43 226.659 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4138581; US4336400; USRE30241 IBM Patent Data

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