| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2005 | 26 | No |
Popular Name: 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 4-(3,4-dimethoxyphenyl)-2,7,7-tr…
| 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) | 3.65 | 1.26 | -12.06 | 0 | 5 | 0 | 71 | 352.434 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 2.11 | -13.7 | 0 | 5 | 0 | 71 | 352.434 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 2.6 | -14.46 | 0 | 5 | 0 | 71 | 352.434 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 1.8 | -11.63 | 0 | 5 | 0 | 71 | 352.434 | 3 | ↓ |
