| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2004 | 30 | No |
Popular Name: 2-(3,4-dimethoxyphenyl)-N-[(1R)-2,2,2-trichloro-1-(o-tolylthiocarbamoylamino)ethyl]acetamide 2-(3,4-dimethoxyphenyl)-N-[(1R)-…
| 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) | 4.13 | -3.17 | -20.11 | 3 | 6 | 0 | 71 | 490.84 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7-1-E | P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 100 | 0.33 | Functional ≤ 10μM |
| P2RX7_RAT | Q64663 | P2X Purinoceptor 7, Rat | 50.1187234 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| The NLRP3 inflammasome |
