| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 24 | No |
Popular Name: 4-[[4-(2-pyridylmethoxy)phenyl]methyl]-1,4-thiazepane 4-[[4-(2-pyridylmethoxy)phenyl]m…
| 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) | 1.75 | 6.49 | -61.54 | 1 | 5 | 1 | 61 | 347.46 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 4.63 | -14.72 | 0 | 5 | 0 | 60 | 346.452 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-[4-(2-pyridylmethoxy)benzyl]-1,4-thiazepane 1,1-dioxide](http://zinc12.docking.org/img/rings/465070.gif)