| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 26 | Yes |
| 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) | 2.88 | 3.83 | -9.3 | 5 | 8 | 0 | 123 | 474.299 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.88 | 4.2 | -33.26 | 6 | 8 | 1 | 124 | 475.307 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX2-1-E | P2X Purinoceptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.45 | Functional ≤ 10μM |
| P2RX3-1-E | P2X Purinoceptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX2_HUMAN | Q9UBL9 | P2X Purinoceptor 2, Human | 5.01187234 | 0.45 | Functional ≤ 10μM |
| P2RX3_RAT | P49654 | P2X Purinoceptor 3, Rat | 1.99526231 | 0.47 | Functional ≤ 10μM |
