| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 20 | Yes |
Popular Name: 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-isoquinolin-1-one 3-[2-[2-methoxyethyl(methyl)amin…
| 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) | 1.71 | 5.5 | -48.27 | 3 | 5 | 1 | 59 | 276.36 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 3.08 | -10.26 | 2 | 5 | 0 | 57 | 275.352 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
