| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2006 | 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) | 1.24 | 7.52 | -29.87 | 2 | 9 | 0 | 115 | 435.51 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 6.32 | -62.74 | 1 | 9 | -1 | 121 | 434.502 | 8 | ↓ |
![2-[[5-(2-anilino-2-keto-ethyl)-4H-1,2,4-triazol-3-yl]thio]-N-(1,3,4-thiadiazol-2-yl)acetamide](http://zinc12.docking.org/img/rings/4621.gif)
