| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 33 | Yes |
Popular Name: 3-[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]-3-methoxy-phenyl]propanoic 3-[4-[4-[3-hydroxy-2-methyl-4-(3…
| 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) | 5.01 | 12.12 | -53.81 | 1 | 7 | -1 | 105 | 457.543 | 14 | ↓ |
| Hi High (pH 8-9.5) | 5.01 | 12.99 | -105.09 | 0 | 7 | -2 | 108 | 456.535 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM2-1-E | Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2200 | 0.24 | Binding ≤ 10μM |
| GRM3-1-E | Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2200 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM2_HUMAN | Q14416 | Metabotropic Glutamate Receptor 2, Human | 2200 | 0.24 | Binding ≤ 10μM |
| GRM3_RAT | P31422 | Metabotropic Glutamate Receptor 3, Rat | 2200 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class C/3 (Metabotropic glutamate/pheromone receptors) | |
| G alpha (i) signalling events |
