UCSF

ZINC21991808

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 36 No

Popular Name: (6R,7R)-Benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6R,7R)-Benzhydryl 3-hydroxy-8-o…

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CAS Number: 54639-48-4

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) 4.12 13.73 -55.84 1 7 -1 99 499.568 8 ↓
Mid Mid (pH 6-8) 2.98 13.21 -34.66 1 7 0 93 500.576 8 ↓

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

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