| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 25 | Yes |
Popular Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]benzonitrile 2-[[4-(1,3-benzodioxol-5-ylmethy…
| 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) | 2.63 | 7.88 | -47.55 | 1 | 5 | 1 | 50 | 336.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 7.82 | -42.94 | 1 | 5 | 1 | 50 | 336.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 5.5 | -11.66 | 0 | 5 | 0 | 49 | 335.407 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
