| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 24 | 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) | 3.52 | 7.94 | -11.63 | 2 | 5 | 0 | 71 | 359.838 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.70 | 5.52 | -11.58 | 2 | 5 | 0 | 74 | 359.838 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 7.96 | -12.86 | 2 | 5 | 0 | 71 | 359.838 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.70 | 5.47 | -13.66 | 2 | 5 | 0 | 74 | 359.838 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine](http://zinc12.docking.org/img/rings/2076.gif)
![4-(5-phenyl-2-furyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine](http://zinc12.docking.org/img/rings/582835.gif)