In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 33 | 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) | 2.85 | 7.08 | -19.04 | 2 | 9 | 0 | 119 | 467.551 | 8 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 140 | 0.29 | Binding ≤ 10μM |
AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 75 | 0.30 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 140 | 0.29 | Binding ≤ 1μM |
AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 75 | 0.30 | Binding ≤ 1μM |
AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 140 | 0.29 | Binding ≤ 10μM |
AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 75 | 0.30 | Binding ≤ 10μM |
Description | Species |
---|---|
Adenosine P1 receptors | |
G alpha (i) signalling events | |
G alpha (s) signalling events |
No pre-computed analogs available. Try a structural similarity search.