In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2009 | 14 | 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) | 1.71 | 3.1 | -40.78 | 3 | 4 | 1 | 59 | 187.226 | 0 | ↓ |
Mid Mid (pH 6-8) | 1.71 | 3.05 | -10.18 | 2 | 4 | 0 | 57 | 186.218 | 0 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 8000 | 0.51 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 8000 | 0.51 | Binding ≤ 10μM |
Description | Species |
---|---|
Adenosine P1 receptors | |
G alpha (i) signalling events |