| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 21 | Yes |
Popular Name: 5-[(2-ethyl-4,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine 5-[(2-ethyl-4,5-dimethoxy-phenyl…
| 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) | 1.85 | 5.29 | -10.22 | 4 | 6 | 0 | 96 | 288.351 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 5.6 | -37.61 | 5 | 6 | 1 | 98 | 289.359 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 1.87 | -35.38 | 5 | 6 | 1 | 98 | 289.359 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX2-1-E | P2X Purinoceptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.33 | Functional ≤ 10μM |
| P2RX3-1-E | P2X Purinoceptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1585 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX2_HUMAN | Q9UBL9 | P2X Purinoceptor 2, Human | 10000 | 0.33 | Functional ≤ 10μM |
| P2RX3_RAT | P49654 | P2X Purinoceptor 3, Rat | 1584.89319 | 0.39 | Functional ≤ 10μM |
