| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 27th, 2010 | 26 | Yes |
Popular Name: N-[2-(3-methoxypropoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide N-[2-(3-methoxypropoxy)phenyl]-1…
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| 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) | 3.11 | 6.05 | -12.12 | 2 | 6 | 0 | 80 | 352.39 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 4.09 | -53.24 | 1 | 6 | -1 | 84 | 351.382 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
