| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 25 | Yes |
Popular Name: (4R,5S)-2-phenethyl-4,5-diphenyl-4,5-dihydro-1H-imidazole (4R,5S)-2-phenethyl-4,5-diphenyl…
| 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) | 5.37 | 12.57 | -38.95 | 2 | 2 | 1 | 26 | 327.451 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.37 | 11.8 | -6.01 | 1 | 2 | 0 | 24 | 326.443 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7-1-E | P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 79 | 0.40 | Functional ≤ 10μM |
| Z80563-1-O | U-373 MG ( Glioblastoma Cells) (cluster #1 Of 1), Other | Other | 80 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 79.4328235 | 0.40 | Functional ≤ 10μM |
| Z80563 | Z80563 | U-373 MG ( Glioblastoma Cells) | 80 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| The NLRP3 inflammasome |
