| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2009 | 12 | Yes |
Popular Name: DiethylMaleate DiethylMaleate
| 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) | 0.96 | 6.51 | -133.25 | 0 | 4 | -2 | 80 | 170.164 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 4.37 | -48.98 | 1 | 4 | -1 | 77 | 171.172 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q79MP6-1-B | Beta-lactamase (cluster #1 Of 2), Bacterial | Bacteria | 410 | 0.75 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q79MP6_PSEAI | Q79MP6 | Beta-lactamase, Pseai | 410 | 0.75 | Binding ≤ 1μM |
| Q79MP6_PSEAI | Q79MP6 | Beta-lactamase, Pseai | 410 | 0.75 | Binding ≤ 10μM |
