| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 27th, 2011 | 27 | Yes |
Popular Name: N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide N-[3-chloro-2-(2-ethoxyethoxy)ph…
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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) | 3.75 | 7.06 | -11.25 | 2 | 6 | 0 | 80 | 386.835 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.21 | 5.13 | -46.78 | 1 | 6 | -1 | 84 | 385.827 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
