| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 28 | Yes |
Popular Name: 3-(azepan-1-ylmethyl)-6-(4-phenylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-(azepan-1-ylmethyl)-6-(4-pheny…
| 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) | 5.20 | 14.01 | -37.98 | 1 | 5 | 1 | 48 | 390.536 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.20 | 12.11 | -9.8 | 0 | 5 | 0 | 46 | 389.528 | 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-(4-phenylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole](http://zinc12.docking.org/img/rings/584737.gif)