| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 25 | Yes |
Popular Name: 4-[(3S)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-1-phenyl-butan-1-one 4-[(3S)-3-(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) | 4.12 | 11.16 | -51.95 | 1 | 4 | 1 | 40 | 338.427 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 8.75 | -11.36 | 0 | 4 | 0 | 39 | 337.419 | 6 | ↓ |
