| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2011 | 46 | No |
None
| 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) | 5.53 | 13.71 | -64.94 | 3 | 11 | -1 | 174 | 627.718 | 12 | ↓ |
| Mid Mid (pH 6-8) | 5.92 | 12.54 | -131.62 | 3 | 11 | -2 | 180 | 626.71 | 12 | ↓ |
| Mid Mid (pH 6-8) | 5.52 | 13.15 | -81.26 | 3 | 11 | 0 | 174 | 627.718 | 12 | ↓ |
| Mid Mid (pH 6-8) | 5.52 | 14.52 | -97.05 | 3 | 11 | 0 | 174 | 627.718 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | PAO_ARATH; RCCR_ARATH; RCCR_HORVU | ChEBI |
No pre-computed analogs available. Try a structural similarity search.
![6-methylene-1H-cyclopenta[b]pyrrol-4-one](http://zinc12.docking.org/img/rings/169858.gif)
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