| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 28th, 2009 | 18 | Yes |
Popular Name: (2R,3R,4S)-2-[[[(1S)-indan-1-yl]amino]methyl]pyrrolidine-3,4-diol (2R,3R,4S)-2-[[[(1S)-indan-1-yl]…
| 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) | 0.29 | 1.24 | -133 | 6 | 4 | 2 | 74 | 250.342 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.29 | -0.08 | -42.09 | 5 | 4 | 1 | 69 | 249.334 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9SEH8-1-E | Alpha-mannosidase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2300 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9SEH8_SOYBN | Q9SEH8 | Alpha-mannosidase, Soybn | 2300 | 0.44 | Binding ≤ 10μM |
