| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 17 | No |
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CAS Numbers: 189633-62-3 , 227458-60-8
2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-2-hydroxymethyl-7,9-diaza-1-oxa-spiro[4,5]decane-10-one-8-thione
| 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) | -2.78 | -9.91 | -13.91 | 6 | 8 | 0 | 131 | 264.259 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYGL-2-E | Liver Glycogen Phosphorylase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7000 | 0.42 | Binding ≤ 10μM |
| PYGM-4-E | Muscle Glycogen Phosphorylase (cluster #4 Of 4), Eukaryotic | Eukaryotes | 5100 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYGL_RAT | P09811 | Liver Glycogen Phosphorylase, Rat | 7000 | 0.42 | Binding ≤ 10μM |
| PYGM_HUMAN | P11217 | Muscle Glycogen Phosphorylase, Human | 5100 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycogen breakdown (glycogenolysis) |
