| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 30 | 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) | 2.85 | 10.03 | -27.25 | 2 | 8 | 0 | 89 | 440.554 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 10.52 | -54.36 | 1 | 8 | -1 | 86 | 439.546 | 8 | ↓ |
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)