| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 35 | 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) | 4.01 | 8.58 | -41.58 | 4 | 6 | 1 | 104 | 481.657 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 7.82 | -14.55 | 3 | 6 | 0 | 100 | 480.649 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one](http://zinc12.docking.org/img/rings/152.gif)
![17-[2-(1H-pyridin-4-ylideneamino)acetyl]-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one](http://zinc12.docking.org/img/rings/590958.gif)