| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2006 | 26 | Yes |
Popular Name: 3-cyano-N-(8-phenyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-benzamide 3-cyano-N-(8-phenyl-1,7-diazabic…
| 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) | 3.72 | 12.04 | -17 | 1 | 5 | 0 | 70 | 338.37 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 12.49 | -34.52 | 2 | 5 | 1 | 71 | 339.378 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM5-2-E | Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 3920 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM5_RAT | P31424 | Metabotropic Glutamate Receptor 5, Rat | 3920 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class C/3 (Metabotropic glutamate/pheromone receptors) | |
| G alpha (q) signalling events |
