| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 28 | Yes |
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) | 3.61 | 9.62 | -53.35 | 2 | 6 | 1 | 60 | 380.516 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 7.86 | -11.59 | 1 | 6 | 0 | 59 | 379.508 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.61 | 10.06 | -93.06 | 3 | 6 | 2 | 61 | 381.524 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine](http://zinc12.docking.org/img/rings/368088.gif)
![2-(1H-benzimidazol-2-yl)-5-(tetrahydropyran-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine](http://zinc12.docking.org/img/rings/578659.gif)