In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2010 | 27 | Yes |
None
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) | 1.90 | 4.16 | -13.23 | 3 | 9 | 0 | 115 | 375.429 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 41 | 0.38 | Binding ≤ 10μM |
AA3R-2-E | Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 104 | 0.36 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 40.5 | 0.38 | Binding ≤ 1μM |
AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 104 | 0.36 | Binding ≤ 1μM |
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 40.5 | 0.38 | Binding ≤ 10μM |
AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 104 | 0.36 | Binding ≤ 10μM |
Description | Species |
---|---|
Adenosine P1 receptors | |
G alpha (i) signalling events |