| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 28th, 2011 | 27 | Yes |
Popular Name: N-[2-ethoxy-5-(trifluoromethyl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide N-[2-ethoxy-5-(trifluoromethyl)p…
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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) | 4.10 | 7.18 | -11.26 | 2 | 5 | 0 | 71 | 376.334 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.56 | 5.24 | -48.88 | 1 | 5 | -1 | 74 | 375.326 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
