| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 28th, 2006 | 29 | No |
Popular Name: 2-[(4-methoxyphenyl)methyl]-4-(2-pyridylaminomethylene)isoquinoline-1,3-dione 2-[(4-methoxyphenyl)methyl]-4-(2…
| 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) | 3.38 | 10.24 | -16.64 | 1 | 6 | 0 | 73 | 385.423 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 10.81 | -50.41 | 2 | 6 | 1 | 74 | 386.431 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.38 | 10.59 | -47.67 | 2 | 6 | 1 | 74 | 386.431 | 5 | ↓ |
