| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 10 | No |
Popular Name: DNC014560 DNC014560
| 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) | -1.00 | -0.4 | -52.87 | 3 | 3 | 0 | 68 | 173.099 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GABR1-1-E | GABA-B Receptor 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 89 | 0.99 | Binding ≤ 10μM |
| GABR2-1-E | GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 89 | 0.99 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GABR1_RAT | Q9Z0U4 | GABA-B Receptor 1, Rat | 89 | 0.99 | Binding ≤ 1μM |
| GABR2_RAT | O88871 | GABA-B Receptor 2, Rat | 89 | 0.99 | Binding ≤ 1μM |
| GABR1_RAT | Q9Z0U4 | GABA-B Receptor 1, Rat | 89 | 0.99 | Binding ≤ 10μM |
| GABR2_RAT | O88871 | GABA-B Receptor 2, Rat | 89 | 0.99 | Binding ≤ 10μM |
