| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 25 | Yes |
Popular Name: N-[6-(diethylamino)-3-pyridyl]-1-oxo-2H-isoquinoline-3-carboxamide N-[6-(diethylamino)-3-pyridyl]-1…
| 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) | 2.97 | 7.52 | -11.61 | 2 | 6 | 0 | 78 | 336.395 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | 5.59 | -46.77 | 1 | 6 | -1 | 81 | 335.387 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.97 | 7.06 | -54.3 | 3 | 6 | 0 | 79 | 337.403 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.97 | 7.9 | -36.5 | 3 | 6 | 1 | 79 | 337.403 | 5 | ↓ |
