| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 27 | No |
Popular Name: 6,6-dibutyl-3,5-dihydroxy-2,4-bis(2-methylpropanoyl)cyclohexa-2,4-dien-1-one 6,6-dibutyl-3,5-dihydroxy-2,4-bi…
| 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) | 3.55 | 12.6 | -15.26 | 0 | 5 | 0 | 91 | 377.501 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 2.96 | 10.61 | -5.02 | 0 | 5 | 0 | 85 | 378.509 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512-4-O | Cavia Porcellus (cluster #4 Of 7), Other | Other | 1800 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 1200 | 0.31 | Functional ≤ 10μM |
