| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 23 | Yes |
Popular Name: 2-[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide 2-[(2S)-2-(1,3-benzodioxol-5-yl)…
| 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) | 2.75 | 5.91 | -44.37 | 2 | 5 | 1 | 52 | 331.314 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 4.18 | -10.06 | 1 | 5 | 0 | 51 | 330.306 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
