| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2010 | 21 | No |
Popular Name: 2-[3-(methylaminomethyl)phenyl]-4H-isoquinoline-1,3-dione 2-[3-(methylaminomethyl)phenyl]-…
| 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) | 1.92 | 7.71 | -45.34 | 2 | 4 | 1 | 54 | 281.335 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 6.26 | -12.86 | 1 | 4 | 0 | 49 | 280.327 | 3 | ↓ |
