| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 3rd, 2006 | 31 | No |
Popular Name: 2-(3,4-dimethoxyphenyl)-4-(3-pyridylmethylaminomethylene)isoquinoline-1,3-dione 2-(3,4-dimethoxyphenyl)-4-(3-pyr…
| 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) | 1.85 | -1.78 | -21.58 | 0 | 7 | 0 | 81 | 415.449 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | -0.9 | -59.13 | 1 | 7 | 1 | 82 | 416.457 | 6 | ↓ |
