In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2009 | 13 | Yes |
Popular Name: (2R,3Z,5R)-3-ethylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3Z,5R)-3-ethylidene-7-oxo-4-…
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) | -1.41 | -0.88 | -51.78 | 0 | 5 | -1 | 70 | 182.155 | 1 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AMPC-5-B | Beta-lactamase (cluster #5 Of 6), Bacterial | Bacteria | 800 | 0.66 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AMPC_ENTCL | P05364 | Beta-lactamase, Entcl | 800 | 0.66 | Binding ≤ 1μM |
AMPC_ENTCL | P05364 | Beta-lactamase, Entcl | 800 | 0.66 | Binding ≤ 10μM |