| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2011 | 20 | Yes |
Popular Name: (2S)-N-[(2-chloro-4-fluoro-phenyl)methyl]-1-ethyl-5-oxo-pyrrolidine-2-carboxamide (2S)-N-[(2-chloro-4-fluoro-pheny…
| 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) | 1.70 | 6.25 | -15.31 | 1 | 4 | 0 | 49 | 298.745 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7-1-E | P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 32 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 31.6227766 | 0.53 | Binding ≤ 1μM |
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 31.6227766 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| The NLRP3 inflammasome |
