| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 29th, 2006 | 25 | Yes |
Popular Name: N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-acetamide N-[(2-chlorophenyl)methyl]-2-(3,…
| 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) | 3.35 | 0.23 | -15.41 | 1 | 4 | 0 | 46 | 353.853 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7-1-E | P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 1000 | 0.34 | Binding ≤ 1μM |
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 1000 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| The NLRP3 inflammasome |
