| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2008 | 17 | No |
Popular Name: (5E)-5-(2-hydroxyindol-3-ylidene)-2-thioxo-thiazolidin-4-one (5E)-5-(2-hydroxyindol-3-ylidene…
| 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) | 2.05 | 2.85 | -47.62 | 1 | 4 | -1 | 69 | 261.307 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC-5-B | Beta-lactamase (cluster #5 Of 6), Bacterial | Bacteria | 2600 | 0.46 | Binding ≤ 10μM |
| Q6W9J1-1-B | Beta-lactamase TEM (cluster #1 Of 1), Bacterial | Bacteria | 8700 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC_ENTCL | P05364 | Beta-lactamase, Entcl | 2600 | 0.46 | Binding ≤ 10μM |
| Q6W9J1_ENTCL | Q6W9J1 | Beta-lactamase TEM, Entcl | 8700 | 0.42 | Binding ≤ 10μM |
