| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2009 | 27 | 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) | 3.12 | 4.89 | -53.23 | 1 | 6 | -1 | 102 | 377.401 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC-6-B | Beta-lactamase (cluster #6 Of 6), Bacterial | Bacteria | 10000 | 0.26 | Binding ≤ 10μM |
| AMPH-2-B | Penicillin-binding Protein AmpH (cluster #2 Of 2), Bacterial | Bacteria | 10000 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC_ECOLI | P00811 | Beta-lactamase, Ecoli | 10000 | 0.26 | Binding ≤ 10μM |
| AMPH_ECOLI | P0AD70 | Penicillin-binding Protein AmpH, Ecoli | 10000 | 0.26 | Binding ≤ 10μM |
