| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 23 | No |
Popular Name: 4-[2-(1,4-diazepan-1-yl)-2-oxo-ethyl]-5-phenyl-1,4-thiazin-3-one 4-[2-(1,4-diazepan-1-yl)-2-oxo-e…
| 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) | 0.47 | 7.85 | -50.29 | 2 | 5 | 1 | 57 | 332.449 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 6.49 | -13.36 | 1 | 5 | 0 | 53 | 331.441 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-[2-(1,4-diazepan-1-yl)-2-keto-ethyl]-5-phenyl-1,4-thiazin-3-one](http://zinc12.docking.org/img/rings/32418.gif)