| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 21 | Yes |
Popular Name: 3-[4-(3,4-dimethoxyphenyl)-3H-imidazol-2-yl]pyridine 3-[4-(3,4-dimethoxyphenyl)-3H-im…
| 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) | 2.29 | 6.02 | -13.71 | 1 | 5 | 0 | 60 | 281.315 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 6.43 | -42.41 | 2 | 5 | 1 | 61 | 282.323 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NPY5R-1-E | Neuropeptide Y Receptor Type 5 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 148 | 0.46 | Binding ≤ 10μM |
| Z80956-1-O | HMCB Cell Line (cluster #1 Of 1), Other | Other | 723 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NPY5R_HUMAN | Q15761 | Neuropeptide Y Receptor Type 5, Human | 148 | 0.46 | Binding ≤ 1μM |
| NPY5R_HUMAN | Q15761 | Neuropeptide Y Receptor Type 5, Human | 148 | 0.46 | Binding ≤ 10μM |
| Z80956 | Z80956 | HMCB Cell Line | 723 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Peptide ligand-binding receptors |
