| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 18 | No |
Popular Name: (5Z)-5-[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]-2-thioxo-thiazolidin-4-one (5Z)-5-[(E)-3-(5-nitro-2-furyl)p…
| 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) | 2.20 | 2.94 | -54.81 | 0 | 6 | -1 | 95 | 281.294 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC-5-B | Beta-lactamase (cluster #5 Of 6), Bacterial | Bacteria | 450 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC_ENTCL | P05364 | Beta-lactamase, Entcl | 450 | 0.49 | Binding ≤ 1μM |
| AMPC_ENTCL | P05364 | Beta-lactamase, Entcl | 450 | 0.49 | Binding ≤ 10μM |
