| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 27 | No |
Popular Name: Adenosine2',5'-diphosphatesodiumsalt Adenosine2',5'-diphosphatesodium…
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CAS Number: 108347-94-0
| 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) | -2.19 | -0.96 | -314.54 | 3 | 15 | -4 | 244 | 423.171 | 6 | ↓ |
| Mid Mid (pH 6-8) | -2.19 | -2.11 | -205.55 | 4 | 15 | -3 | 241 | 424.179 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -2.19 | -3.27 | -99.9 | 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 | 8460 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY1_HUMAN | P47900 | Purinergic Receptor P2Y1, Human | 1370 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 1 | |
| G alpha (q) signalling events | |
| P2Y receptors |
