| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 32 | 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) | -3.47 | -6.75 | -364.8 | 3 | 20 | -4 | 325 | 521.121 | 9 | ↓ |
| Hi High (pH 8-9.5) | -3.01 | -9.44 | -450.69 | 2 | 20 | -5 | 329 | 520.113 | 9 | ↓ |
| Mid Mid (pH 6-8) | -3.47 | -7.9 | -228.86 | 4 | 20 | -3 | 323 | 522.129 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY2-1-E | Purinergic Receptor P2Y2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1800 | 0.25 | Functional ≤ 10μM |
| P2RY6-1-E | Pyrimidinergic Receptor P2Y6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 467 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY2_HUMAN | P41231 | Purinergic Receptor P2Y2, Human | 1800 | 0.25 | Functional ≤ 10μM |
| P2RY6_HUMAN | Q15077 | Pyrimidinergic Receptor P2Y6, Human | 467 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| P2Y receptors |
