| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 25 | Yes |
Popular Name: N-[(2,6-difluorophenyl)methyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide N-[(2,6-difluorophenyl)methyl]-N…
| 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) | 3.40 | 8.56 | -12.64 | 1 | 4 | 0 | 53 | 342.345 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 8.62 | -46.88 | 0 | 4 | -1 | 56 | 341.337 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
