| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 14 | No |
Popular Name: (2S,5R,6S)-3,3-dimethyl-7-oxo-6-sulfanyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,5R,6S)-3,3-dimethyl-7-oxo-6-…
| 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) | -1.22 | 2.29 | -47.51 | 0 | 4 | -1 | 60 | 232.306 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.22 | 2.76 | -101.15 | 0 | 4 | -2 | 60 | 231.298 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC-5-B | Beta-lactamase (cluster #5 Of 6), Bacterial | Bacteria | 7900 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC_ECOLI | P00811 | Beta-lactamase, Ecoli | 7900 | 0.51 | Binding ≤ 10μM |
