| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 27 | No |
Popular Name: [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxyphosphonic [5-(6-aminopurin-9-yl)-4-hydroxy…
| 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) | -3.14 | -1.81 | -356.51 | 3 | 15 | -4 | 244 | 423.171 | 6 | ↓ |
| Mid Mid (pH 6-8) | -3.14 | -2.96 | -225.59 | 4 | 15 | -3 | 241 | 424.179 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -3.14 | -4.1 | -110.24 | 5 | 15 | -2 | 238 | 425.187 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY1-1-E | P2Y Purinoceptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4190 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY1_HUMAN | P47900 | Purinergic Receptor P2Y1, Human | 1280 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 1 | |
| G alpha (q) signalling events | |
| P2Y receptors |
