| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 17 | Yes |
| 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) | 1.52 | 6.46 | -11.04 | 1 | 6 | 0 | 73 | 234.259 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 6.95 | -49.81 | 2 | 6 | 1 | 74 | 235.267 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1700 | 0.48 | Binding ≤ 10μM |
| Z50512-5-O | Cavia Porcellus (cluster #5 Of 7), Other | Other | 1600 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 1700 | 0.48 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 1600 | 0.48 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events |
