| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 27 | Yes |
Popular Name: (3S)-N-[(2R)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-1-oxo-isochroman-3-carboxamide (3S)-N-[(2R)-2-dimethylamino-2-(…
| 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) | 3.38 | 12.17 | -61.96 | 2 | 5 | 1 | 60 | 367.469 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 10.01 | -20.01 | 1 | 5 | 0 | 59 | 366.461 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
