| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 16 | Yes |
Popular Name: (2R)-1-amino-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepin-3-ylsulfanyl)propan-2-ol (2R)-1-amino-3-(6,7,8,9-tetrahyd…
| 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) | -0.27 | 1.93 | -57.27 | 4 | 5 | 1 | 79 | 243.356 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.27 | 1.55 | -12.11 | 3 | 5 | 0 | 77 | 242.348 | 4 | ↓ |
![6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine](http://zinc12.docking.org/img/rings/3619.gif)
