| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 8th, 2011 | 32 | 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) | 6.43 | 16.07 | -72.56 | 1 | 6 | 0 | 60 | 464.664 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.70 | 16.27 | -51.29 | 2 | 6 | 1 | 63 | 465.672 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-phenyl-3-[4-(4-phenyl-1,2,4-triazol-3-yl)butyl]-3H-1,2,4-triazole-5-thione](http://zinc12.docking.org/img/rings/357186.gif)