| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 26 | No |
Popular Name: 4-[(4,4-dimethyl-7-nitro-1,3-dioxo-2-isoquinolyl)methyl]benzonitrile 4-[(4,4-dimethyl-7-nitro-1,3-dio…
| 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) | 2.28 | 10.36 | -13.31 | 0 | 7 | 0 | 107 | 349.346 | 3 | ↓ |
