| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 29 | Yes |
Popular Name: methyl methyl
| 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) | 3.95 | 3.8 | -44.03 | 2 | 9 | -1 | 128 | 402.406 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 5.68 | -13.1 | 3 | 9 | 0 | 125 | 403.414 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.95 | 3.8 | -38.3 | 4 | 9 | 1 | 127 | 404.422 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.95 | -0.97 | -35.28 | 4 | 9 | 1 | 127 | 404.422 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TLR7-1-E | Toll-like Receptor 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 26 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TLR7_HUMAN | Q9NYK1 | Toll-like Receptor 7, Human | 25.7 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| MyD88 dependent cascade initiated on endosome | |
| Toll Like Receptor 7/8 (TLR7/8) Cascade | |
| TRAF6 mediated induction of NFkB and MAP kinases upon TLR7/8 or 9 activation | |
| TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling | |
| Trafficking and processing of endosomal TLR |
