| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 2nd, 2006 | 10 | Yes |
Popular Name: 3,4-Pyrrolidinediol, 2-(1-hydroxyethyl)-, [2R-[2alpha(S*),3alpha,4alpha]]- (9CI) 3,4-Pyrrolidinediol, 2-(1-hydrox…
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CAS Number: 749145-39-9
| 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) | -1.61 | -7.15 | -41.87 | 5 | 4 | 1 | 77 | 148.182 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MA2C1-1-E | Alpha-mannosidase 2C1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.87 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MA2C1_RAT | P21139 | Alpha-mannosidase 2C1, Rat | 600 | 0.87 | Binding ≤ 1μM |
| MA2C1_RAT | P21139 | Alpha-mannosidase 2C1, Rat | 600 | 0.87 | Binding ≤ 10μM |
