| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 19 | No |
Popular Name: N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]tetrahydrothiopyran-4-amine N-[4-(1H-1,2,4-triazol-5-ylsulfa…
| 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) | 3.28 | 7.69 | -7.17 | 2 | 4 | 0 | 54 | 292.433 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 7.48 | -41.85 | 1 | 4 | -1 | 52 | 291.425 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Tetrahydrothiopyran-4-yl-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]amine](http://zinc12.docking.org/img/rings/143834.gif)