| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2006 | 22 | No |
Popular Name: 5-[(4-phenylphenyl)methylene]-2-sulfanyl-1H-pyrimidine-4,6-dione 5-[(4-phenylphenyl)methylene]-2-…
| 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) | 2.89 | 6.45 | -39.89 | 1 | 4 | -1 | 69 | 307.354 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 7.52 | -11.15 | 2 | 4 | 0 | 66 | 308.362 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.89 | 6.44 | -39.37 | 1 | 4 | -1 | 69 | 307.354 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SIRT2-1-E | NAD-dependent Deacetylase Sirtuin 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8700 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SIRT2_HUMAN | Q8IXJ6 | NAD-dependent Deacetylase Sirtuin 2, Human | 8700 | 0.32 | Binding ≤ 10μM |
