| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 27th, 2010 | 29 | Yes |
| 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) | 0.99 | 6.84 | -17.46 | 2 | 8 | 0 | 99 | 390.447 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 6.28 | -45.17 | 1 | 8 | -1 | 101 | 389.439 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 5.24 | -49.64 | 1 | 8 | -1 | 105 | 389.439 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 8.27 | -44.79 | 3 | 8 | 1 | 100 | 391.455 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,3a,7,8a-tetrahydroimidazo[4,5-e][1,3]diazepine-4,8-quinone](http://zinc12.docking.org/img/rings/607806.gif)
![6-(benzylamino)-1-(2-pyridylmethyl)-7,8a-dihydro-3aH-imidazo[4,5-e][1,3]diazepine-4,8-quinone](http://zinc12.docking.org/img/rings/607805.gif)