| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 20 | Yes |
Popular Name: 3-amino-2-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]isoquinolin-1-one 3-amino-2-[(1S)-2-imidazol-1-yl-…
| 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) | 1.43 | 9.15 | -40.72 | 3 | 5 | 1 | 67 | 269.328 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 8.63 | -11.39 | 2 | 5 | 0 | 66 | 268.32 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
