| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 27 | Yes |
Popular Name: 4-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]benzonitrile 4-[[4-[(6-chloro-4H-1,3-benzodio…
| 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) | 3.18 | 9.47 | -47.71 | 1 | 5 | 1 | 50 | 384.887 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 7.22 | -7.76 | 0 | 5 | 0 | 49 | 383.879 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 9.49 | -42.54 | 1 | 5 | 1 | 50 | 384.887 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
