| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 17 | Yes |
Popular Name: DNC013876 DNC013876
| 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) | 3.42 | 8.2 | -8.89 | 1 | 3 | 0 | 38 | 227.311 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.42 | 8.65 | -29.1 | 2 | 3 | 1 | 39 | 228.319 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1997011070A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM1-1-E | Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 27 | 0.62 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM1_RAT | P23385 | Metabotropic Glutamate Receptor 1, Rat | 27 | 0.62 | Functional ≤ 10μM |
