| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 20 | Yes |
Popular Name: 3-amino-2-[2-[2-methoxyethyl(methyl)amino]ethyl]isoquinolin-1-one 3-amino-2-[2-[2-methoxyethyl(met…
| 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) | 1.40 | 6.48 | -43.71 | 3 | 5 | 1 | 62 | 276.36 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 4.05 | -12.59 | 2 | 5 | 0 | 61 | 275.352 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
