| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2006 | 22 | 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) | 1.91 | -2.28 | -19.9 | 5 | 7 | 0 | 131 | 302.238 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | -1.47 | -54.81 | 4 | 7 | -1 | 134 | 301.23 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NANH-1-B | Sialidase (cluster #1 Of 1), Bacterial | Bacteria | 1400 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NANH_CLOPE | P10481 | Sialidase, Clope | 1400 | 0.37 | Binding ≤ 10μM |
