| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 29 | No |
Popular Name: 3,5-dihydroxy-2,4-bis(2-methylpropanoyl)-6,6-dipentyl-cyclohexa-2,4-dien-1-one 3,5-dihydroxy-2,4-bis(2-methylpr…
| 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) | 4.56 | 14.19 | -14.87 | 0 | 5 | 0 | 91 | 405.555 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.97 | 12.89 | -7.03 | 0 | 5 | 0 | 85 | 406.563 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512-4-O | Cavia Porcellus (cluster #4 Of 7), Other | Other | 5600 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 2300 | 0.27 | Functional ≤ 10μM |
