| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 27 | No |
Popular Name: [(2S,3S,5S)-5-(6-amino-2-chloro-purin-9-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl [(2S,3S,5S)-5-(6-amino-2-chloro-…
None
| 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) | -1.23 | 1.51 | -346.04 | 2 | 14 | -4 | 224 | 441.617 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.23 | 0.36 | -217.25 | 3 | 14 | -3 | 221 | 442.625 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.23 | 0.37 | -213.25 | 3 | 14 | -3 | 221 | 442.625 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -1.23 | -0.79 | -104.13 | 4 | 14 | -2 | 218 | 443.633 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY1-1-E | P2Y Purinoceptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 651 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY1_HUMAN | P47900 | Purinergic Receptor P2Y1, Human | 2010 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 1 | |
| G alpha (q) signalling events | |
| P2Y receptors |
