| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 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) | 4.45 | 9.74 | -19.22 | 1 | 6 | 0 | 77 | 414.506 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.45 | 9.81 | -44.55 | 0 | 6 | -1 | 79 | 413.498 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine](http://zinc12.docking.org/img/rings/3619.gif)
![N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzenesulfonamide](http://zinc12.docking.org/img/rings/108528.gif)