UCSF

ZINC13544613

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 28 No

Popular Name: (6R,7S)-3-(acetoxymethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-car (6R,7S)-3-(acetoxymethyl)-8-oxo-…

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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) 0.54 7.24 -70.72 1 9 -1 125 405.408 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5491139; US5637580; US5646139; US5648346 IBM Patent Data

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Rings

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

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