| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 46 | No |
| 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) | 6.77 | 12.19 | -23.05 | 1 | 9 | 0 | 98 | 616.67 | 9 | ↓ |
| Mid Mid (pH 6-8) | 6.77 | 14.48 | -59.86 | 2 | 9 | 1 | 99 | 617.678 | 9 | ↓ |
| Mid Mid (pH 6-8) | 6.77 | 15.23 | -40.53 | 1 | 9 | 0 | 102 | 616.67 | 9 | ↓ |
| Mid Mid (pH 6-8) | 6.77 | 12.97 | -52.07 | 0 | 9 | -1 | 101 | 615.662 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-(1,3-benzodioxol-5-yl)-1-[4-[4-[3-[3-(1,3-benzodioxol-5-yl)acryloyl]benzyl]piperazino]phenyl]prop-2-en-1-one](http://zinc12.docking.org/img/rings/468960.gif)