| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 24 | No |
| 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) | 2.34 | 0.68 | -15.58 | 4 | 8 | 0 | 123 | 326.312 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 1.45 | -57.06 | 3 | 8 | -1 | 126 | 325.304 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC-6-B | Beta-lactamase (cluster #6 Of 6), Bacterial | Bacteria | 4000 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC_ECOLI | P00811 | Beta-lactamase, Ecoli | 10000 | 0.29 | Binding ≤ 10μM |
