| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 5th, 2005 | 24 | No |
Popular Name: 2-(3,3-diethyl-2,4-dihydroisoquinolin-1-ylidene)-5,5-dimethyl-cyclohexane-1,3-dione 2-(3,3-diethyl-2,4-dihydroisoqui…
| 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) | 4.51 | 9.63 | -45.34 | 0 | 3 | -1 | 52 | 324.444 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 10.12 | -9.06 | 1 | 3 | 0 | 46 | 325.452 | 2 | ↓ |
