| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 31st, 2005 | 22 | No |
Popular Name: 1-(4-methoxyphenyl)-3-(3-nitrophenyl)-propane-1,3-dione 1-(4-methoxyphenyl)-3-(3-nitroph…
| 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) | 4.06 | 9.12 | -39.17 | 0 | 6 | -1 | 95 | 298.274 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 3.28 | -29.1 | 0 | 6 | 0 | 89 | 299.282 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYGM-3-E | Muscle Glycogen Phosphorylase (cluster #3 Of 4), Eukaryotic | Eukaryotes | 4100 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYGM_RABIT | P00489 | Glycogen Phosphorylase, Muscle Form, Rabit | 4100 | 0.34 | Binding ≤ 10μM |
