| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 25 | Yes |
| 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) | 3.79 | 9.65 | -9.48 | 0 | 4 | 0 | 48 | 341.451 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.79 | 10.19 | -40.99 | 1 | 4 | 1 | 50 | 342.459 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f]isobenzofuran-3-one](http://zinc12.docking.org/img/rings/221929.gif)
![4-[2-(2-pyridyl)vinyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]isobenzofuran-1-one](http://zinc12.docking.org/img/rings/221928.gif)