| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 24 | No |
Popular Name: 1,3-diethyl-5-[(7-methyl-1H-indol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 1,3-diethyl-5-[(7-methyl-1H-indo…
| 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) | 2.07 | 10.04 | -8.79 | 1 | 5 | 0 | 60 | 341.436 | 3 | ↓ |
| 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 | 600 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TNR1A_HUMAN | P19438 | Tumor Necrosis Factor Receptor R1, Human | 600 | 0.36 | Binding ≤ 1μM |
| TNR1A_HUMAN | P19438 | Tumor Necrosis Factor Receptor R1, Human | 600 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| TNF signaling |
