| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 26 | Yes |
Popular Name: N-[(2,3-dichlorophenyl)methyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide N-[(2,3-dichlorophenyl)methyl]-2…
| 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) | 3.98 | 10.27 | -15.89 | 1 | 4 | 0 | 47 | 388.298 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7-1-E | P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 25 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 25.1188643 | 0.41 | Binding ≤ 1μM |
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 25.1188643 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| The NLRP3 inflammasome |
