| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 23 | Yes |
Popular Name: (2S)-1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-(1,3-dioxolan-2-yl)piperidine (2S)-1-[(6-chloro-4H-1,3-benzodi…
| 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) | 2.83 | 7.45 | -29.27 | 1 | 5 | 1 | 41 | 340.827 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.83 | 5.31 | -5.68 | 0 | 5 | 0 | 40 | 339.819 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
