| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2009 | 32 | 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) | -0.69 | 1.4 | -80.31 | 5 | 13 | -1 | 203 | 495.548 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | 2.53 | -139.1 | 4 | 13 | -2 | 205 | 494.54 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | 2.52 | -211.33 | 3 | 13 | -3 | 204 | 493.532 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | 0.46 | -197.45 | 3 | 13 | -3 | 204 | 493.532 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | 2.67 | -142.18 | 4 | 13 | -2 | 205 | 494.54 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.69 | -0.55 | -143.44 | 4 | 13 | -2 | 201 | 494.54 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.69 | 1.26 | -142.48 | 4 | 13 | -2 | 201 | 494.54 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-azabicyclo[4.2.0]oct-2-en-8-one](http://zinc12.docking.org/img/rings/11702.gif)
![2-imino-N-[8-keto-3-[(1H-triazol-4-ylthio)methylthio]-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-thiazol-4-yl-acetamide](http://zinc12.docking.org/img/rings/590092.gif)