| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 23rd, 2008 | 26 | Yes |
Popular Name: 1-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]-2H-isoquinoline-3-carboxamide 1-oxo-N-[3-[(1S)-1-phenylethoxy]…
| 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) | 3.36 | 7.58 | -13.31 | 2 | 5 | 0 | 71 | 350.418 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 6.58 | -42.66 | 1 | 5 | -1 | 74 | 349.41 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
