| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2009 | 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) | -1.50 | -0.42 | -133.98 | 4 | 15 | -2 | 232 | 538.549 | 7 | ↓ |
| Hi High (pH 8-9.5) | -1.50 | 0.84 | -199.66 | 3 | 15 | -3 | 235 | 537.541 | 7 | ↓ |
| Hi High (pH 8-9.5) | -1.50 | -1.21 | -193.28 | 3 | 15 | -3 | 235 | 537.541 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one](http://zinc12.docking.org/img/rings/13223.gif)
![2-imino-N-[8-keto-3-[[(5-keto-2H-1,2,4-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-thiazol-4-yl-acetamide](http://zinc12.docking.org/img/rings/590143.gif)