| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 7th, 2010 | 26 | No |
Popular Name: 2-ethyl-3-methoxy-6-methyl-5-(11-oxododecyl)-1,4-benzoquinone 2-ethyl-3-methoxy-6-methyl-5-(11…
| 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) | 5.74 | 13.31 | -10.05 | 0 | 4 | 0 | 60 | 362.51 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAH-2-B | Histone Deacetylase-like Amidohydrolase (cluster #2 Of 2), Bacterial | Bacteria | 600 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAH_ALCSD | Q70I53 | Histone Deacetylase-like Amidohydrolase, Alcsd | 600 | 0.34 | Binding ≤ 1μM |
| HDAH_ALCSD | Q70I53 | Histone Deacetylase-like Amidohydrolase, Alcsd | 1100 | 0.32 | Binding ≤ 10μM |
