| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 23 | No |
Popular Name: 5-acetylamino-4-guanidino-6-(1,2,3-trihydroxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic 5-acetylamino-4-guanidino-6-(1,2…
| 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) | -3.51 | -11.99 | -61.85 | 9 | 11 | 0 | 202 | 332.313 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A8K327-1-E | Sialidase 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| NEUR1-1-E | Sialidase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| NEUR2-1-E | Sialidase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| NEUR4-1-E | Sialidase 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NEUR1_HUMAN | Q99519 | Sialidase 1, Human | 0.1 | 0.61 | Binding ≤ 1μM |
| NEUR2_HUMAN | Q9Y3R4 | Sialidase 2, Human | 0.1 | 0.61 | Binding ≤ 1μM |
| A8K327_HUMAN | A8K327 | Sialidase 3, Human | 0.1 | 0.61 | Binding ≤ 1μM |
| NEUR4_HUMAN | Q8WWR8 | Sialidase 4, Human | 0.1 | 0.61 | Binding ≤ 1μM |
| NEUR1_HUMAN | Q99519 | Sialidase 1, Human | 0.1 | 0.61 | Binding ≤ 10μM |
| NEUR2_HUMAN | Q9Y3R4 | Sialidase 2, Human | 0.1 | 0.61 | Binding ≤ 10μM |
| A8K327_HUMAN | A8K327 | Sialidase 3, Human | 0.1 | 0.61 | Binding ≤ 10μM |
| NEUR4_HUMAN | Q8WWR8 | Sialidase 4, Human | 0.1 | 0.61 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism | |
| Sialic acid metabolism |
