| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2006 | 11 | Yes |
Popular Name: 1,4-DIDEOXY-1,4-IMINO-D-MANNITOL HYDROCHLORIDE 1,4-DIDEOXY-1,4-IMINO-D-MANNITOL…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 114976-76-0 , [114976-76-0]
"1,4-Dideoxy-1,4-imino-D-mannitol hydrochloride, 98%"
(2R,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-Pyrrolidinediol hydrochloride
| 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 | -10.49 | -47.04 | 6 | 5 | 1 | 97 | 164.181 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MA2C1-1-E | Alpha-mannosidase 2C1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 500 | 0.80 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MA2C1_RAT | P21139 | Alpha-mannosidase 2C1, Rat | 500 | 0.80 | Binding ≤ 1μM |
| MA2C1_RAT | P21139 | Alpha-mannosidase 2C1, Rat | 500 | 0.80 | Binding ≤ 10μM |
