| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 27th, 2010 | 27 | Yes |
Popular Name: N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide N-[4-(dimethylamino)-2-(trifluor…
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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) | 3.77 | 7.48 | -10.16 | 2 | 5 | 0 | 65 | 375.35 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 5.52 | -49.38 | 1 | 5 | -1 | 68 | 374.342 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
