| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 14th, 2006 | 22 | No |
Popular Name: 1-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-prop-2-en-1-one 1-(3,4-dimethoxyphenyl)-3-(4-met…
| 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) | 3.51 | 2.64 | -12.38 | 0 | 4 | 0 | 44 | 298.338 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TNR1A-1-E | Tumor Necrosis Factor Receptor R1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6000 | 0.33 | Functional ≤ 10μM |
| Z80186-2-O | K562 (Erythroleukemia Cells) (cluster #2 Of 11), Other | Other | 10000 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 10000 | 0.32 | Functional ≤ 10μM |
| TNR1A_HUMAN | P19438 | Tumor Necrosis Factor Receptor R1, Human | 6000 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TNF signaling |
