| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 24 | Yes |
Popular Name: 3-(azepan-1-ylmethyl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-(azepan-1-ylmethyl)-6-(3-metho…
| 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) | 3.44 | 9.9 | -37.87 | 1 | 6 | 1 | 57 | 344.464 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 7.99 | -9.62 | 0 | 6 | 0 | 56 | 343.456 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole](http://zinc12.docking.org/img/rings/1918.gif)
![3-(azepan-1-ylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole](http://zinc12.docking.org/img/rings/582570.gif)