| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 23rd, 2005 | 22 | No |
Popular Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethyl-cyclohexane-1,3-dione 2-(3,3-dimethyl-4H-isoquinolin-1…
| 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) | 3.50 | 7.91 | -46.88 | 0 | 3 | -1 | 52 | 296.39 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 8.71 | -9.22 | 1 | 3 | 0 | 46 | 297.398 | 0 | ↓ |
