| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 16 | Yes |
Popular Name: N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cycloheptanamine N-[2-(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) | 2.51 | 6.49 | -45.21 | 3 | 4 | 1 | 58 | 241.384 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 6.29 | -51.93 | 2 | 4 | 0 | 56 | 240.376 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Cycloheptyl-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]amine](http://zinc12.docking.org/img/rings/96954.gif)