| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 23 | Yes |
Popular Name: LS-79700 LS-79700
| 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) | 3.97 | -0.74 | -30.87 | 2 | 2 | 1 | 25 | 299.397 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7-1-E | P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3981 | 0.33 | Functional ≤ 10μM |
| Z80563-1-O | U-373 MG ( Glioblastoma Cells) (cluster #1 Of 1), Other | Other | 3800 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 3981.07171 | 0.33 | Functional ≤ 10μM |
| Z80563 | Z80563 | U-373 MG ( Glioblastoma Cells) | 3800 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| The NLRP3 inflammasome |
