| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 11 | Yes |
Popular Name: 2,5-Anhydro-2,5-imino-D-glucitol 2,5-Anhydro-2,5-imino-D-glucitol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 105015-44-9 , 132295-44-4
| 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) | -2.62 | -8.81 | -32.25 | 6 | 5 | 1 | 98 | 164.181 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BGAL-1-E | Beta-galactosidase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3300 | 0.70 | Binding ≤ 10μM |
| D3ZUM4-1-E | Beta-galactosidase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3600 | 0.69 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BGAL_HUMAN | P16278 | Beta-galactosidase, Human | 3300 | 0.70 | Binding ≤ 10μM |
| D3ZUM4_RAT | D3ZUM4 | Beta-galactosidase, Rat | 3600 | 0.69 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism | |
| HS-GAG degradation | |
| Keratan sulfate degradation | |
| Sialic acid metabolism |
No pre-computed analogs available. Try a structural similarity search.