| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 26 | 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) | 0.00 | 2.49 | -43.38 | 3 | 8 | 1 | 85 | 362.454 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.00 | 4.28 | -54.4 | 3 | 8 | 1 | 85 | 362.454 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.00 | 4.75 | -88.91 | 4 | 8 | 2 | 87 | 363.462 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.00 | 2.02 | -17.65 | 2 | 8 | 0 | 84 | 361.446 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.00 | 6.99 | -183.03 | 5 | 8 | 3 | 88 | 364.47 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3,3a,4,5,6,6a-hexahydropyrrolo[3,4-d]oxazol-2-one](http://zinc12.docking.org/img/rings/22483.gif)
![3-(3-morpholinopropyl)-5-(3-pyridylmethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-2-one](http://zinc12.docking.org/img/rings/579122.gif)