| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 22 | Yes |
Popular Name: 1-oxo-2-propyl-6-(3-pyridyl)isoquinoline-8-carbonitrile 1-oxo-2-propyl-6-(3-pyridyl)isoq…
None
| 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) | 2.72 | 9.16 | -18.13 | 0 | 4 | 0 | 59 | 289.338 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.72 | 9.62 | -55.55 | 1 | 4 | 1 | 60 | 290.346 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
