| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 20 | Yes |
Popular Name: ethyl 3-(3,7-dimethyl-2,6-dioxo-2,3-dihydro-6H-purin-1(7H)-yl)propanoate ethyl 3-(3,7-dimethyl-2,6-dioxo-…
| 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) | 0.26 | 7.58 | -13.2 | 0 | 8 | 0 | 88 | 280.284 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.26 | 8.07 | -50.44 | 1 | 8 | 1 | 89 | 281.292 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TNFA-1-E | TNF-alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TNFA_HUMAN | P01375 | TNF-alpha, Human | 10000 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| TNF signaling | |
| Transcriptional regulation of white adipocyte differentiation |
