| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 29 | No |
| 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) | 3.31 | 11.25 | -25.67 | 2 | 7 | 0 | 74 | 423.571 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 11.74 | -56 | 1 | 7 | -1 | 71 | 422.563 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-(benzalamino)-3-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1H-1,2,4-triazole-5-thione](http://zinc12.docking.org/img/rings/38927.gif)