| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2010 | 37 | No |
| 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) | -5.24 | -4.73 | -472.67 | 4 | 22 | -5 | 355 | 655.126 | 12 | ↓ |
| Mid Mid (pH 6-8) | -5.24 | -3.57 | -634.27 | 3 | 22 | -6 | 357 | 654.118 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY2-1-E | Purinergic Receptor P2Y2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 570 | 0.24 | Functional ≤ 10μM |
| P2RY4-1-E | Pyrimidinergic Receptor P2Y4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5270 | 0.20 | Functional ≤ 10μM |
| P2RY6-1-E | Pyrimidinergic Receptor P2Y6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7330 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY2_HUMAN | P41231 | Purinergic Receptor P2Y2, Human | 570 | 0.24 | Functional ≤ 10μM |
| P2RY4_HUMAN | P51582 | Pyrimidinergic Receptor P2Y4, Human | 5270 | 0.20 | Functional ≤ 10μM |
| P2RY6_HUMAN | Q15077 | Pyrimidinergic Receptor P2Y6, Human | 7330 | 0.19 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| P2Y receptors |
