| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 22 | No |
Popular Name: 2-[(1,1,4-trioxo-2H-benzo[e]thiadiazin-3-yl)methyl]benzonitrile 2-[(1,1,4-trioxo-2H-benzo[e]thia…
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| 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) | 1.34 | 4.15 | -12.8 | 1 | 6 | 0 | 90 | 313.338 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 4.32 | -48.43 | 0 | 6 | -1 | 92 | 312.33 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,1-diketo-2,3-dihydrobenzo[e]thiadiazin-4-one](http://zinc12.docking.org/img/rings/123556.gif)
![3-benzyl-1,1-diketo-2H-benzo[e]thiadiazin-4-one](http://zinc12.docking.org/img/rings/201403.gif)