| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 27 | No |
Popular Name: 6-hydroxy-2-isopropylidene-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzofuran-3-one 6-hydroxy-2-isopropylidene-7-[[(…
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| 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) | 3.41 | 9.05 | -40.39 | 2 | 5 | 1 | 68 | 365.453 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 7.92 | -42.69 | 0 | 5 | -1 | 69 | 363.437 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 7.11 | -8.87 | 1 | 5 | 0 | 67 | 364.445 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 9.65 | -25.56 | 1 | 5 | 0 | 71 | 364.445 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-methylene-7-[[2-(3-pyridyl)piperidino]methyl]coumaran-3-one](http://zinc12.docking.org/img/rings/549848.gif)