| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2009 | 26 | No |
Popular Name: [(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl [(2S,3S,5R)-5-(6-aminopurin-9-yl…
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| 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) | -2.23 | 1.76 | -353.32 | 2 | 14 | -4 | 224 | 407.172 | 6 | ↓ |
| Mid Mid (pH 6-8) | -2.23 | 0.6 | -223.86 | 3 | 14 | -3 | 221 | 408.18 | 6 | ↓ |
| Mid Mid (pH 6-8) | -2.23 | 0.61 | -219.37 | 3 | 14 | -3 | 221 | 408.18 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -2.23 | -0.55 | -109.35 | 4 | 14 | -2 | 218 | 409.188 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY1-1-E | P2Y Purinoceptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6290 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY1_HUMAN | P47900 | Purinergic Receptor P2Y1, Human | 5760 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 1 | |
| G alpha (q) signalling events | |
| P2Y receptors |
