| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 20 | No |
Popular Name: 3-(4,4-dimethylpentyl)-4-hydroxy-naphthalene-1,2-dione 3-(4,4-dimethylpentyl)-4-hydroxy…
| 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) | 3.97 | 8.93 | -41.43 | 0 | 3 | -1 | 57 | 271.336 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.97 | 8.34 | -15.41 | 1 | 3 | 0 | 54 | 272.344 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.97 | 7.96 | -6.06 | 1 | 3 | 0 | 54 | 272.344 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 9.25 | -7.68 | 0 | 3 | 0 | 51 | 272.344 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0802730A1; EP0802730B1 | IBM Patent Data |
