| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 31 | Yes |
Popular Name: 6,7-Dichloro-2-propyl-5-((3-((pyridin-4-ylthio)methyl)benzyl)oxy)-2,3-dihydro-1H-inden-1-one 6,7-Dichloro-2-propyl-5-((3-((py…
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CAS Number: N/A
| 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) | 6.82 | 15.01 | -14.58 | 0 | 3 | 0 | 39 | 472.437 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 6.82 | 15.31 | -44.34 | 1 | 3 | 1 | 40 | 473.445 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM2-2-E | Metabotropic Glutamate Receptor 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 186 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM2_HUMAN | Q14416 | Metabotropic Glutamate Receptor 2, Human | 186 | 0.30 | Binding ≤ 1μM |
| GRM2_HUMAN | Q14416 | Metabotropic Glutamate Receptor 2, Human | 186 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class C/3 (Metabotropic glutamate/pheromone receptors) | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.