| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 13th, 2010 | 45 | 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) | -5.18 | -8.85 | -249.95 | 6 | 24 | -3 | 366 | 707.304 | 12 | ↓ |
| Hi High (pH 8-9.5) | -5.03 | -11.3 | -331.62 | 5 | 24 | -4 | 370 | 706.296 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY2-1-E | Purinergic Receptor P2Y2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1310 | 0.18 | Functional ≤ 10μM |
| P2RY4-1-E | Pyrimidinergic Receptor P2Y4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 870 | 0.19 | Functional ≤ 10μM |
| P2RY6-1-E | Pyrimidinergic Receptor P2Y6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 270 | 0.20 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY2_HUMAN | P41231 | Purinergic Receptor P2Y2, Human | 1310 | 0.18 | Functional ≤ 10μM |
| P2RY4_HUMAN | P51582 | Pyrimidinergic Receptor P2Y4, Human | 870 | 0.19 | Functional ≤ 10μM |
| P2RY6_HUMAN | Q15077 | Pyrimidinergic Receptor P2Y6, Human | 270 | 0.20 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| P2Y receptors |
