| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 23 | No |
Popular Name: 3-[(4-nitrophenyl)methyl]-1,1-dioxo-2H-benzo[e]thiadiazin-4-one 3-[(4-nitrophenyl)methyl]-1,1-di…
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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) | 1.59 | 4.59 | -16.18 | 1 | 8 | 0 | 112 | 333.325 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 4.87 | -38.25 | 0 | 8 | -1 | 114 | 332.317 | 3 | ↓ |
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)