| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2005 | 27 | No |
Popular Name: 4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)-2-pyridyl]azo]benzoic 4-[[4-formyl-5-hydroxy-6-methyl-…
| 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) | 1.63 | 4.76 | -211.02 | 1 | 11 | -3 | 187 | 392.24 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 5.76 | -289.42 | 0 | 11 | -4 | 190 | 391.232 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX1-1-E | P2X Purinoceptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.42 | Functional ≤ 10μM |
| P2RX3-1-E | P2X Purinoceptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 140 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX1_RAT | P47824 | P2X Purinoceptor 1, Rat | 9.4 | 0.42 | Functional ≤ 10μM |
| P2RX3_RAT | P49654 | P2X Purinoceptor 3, Rat | 140 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Elevation of cytosolic Ca2+ levels | |
| Platelet homeostasis |
