| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 27 | No |
Popular Name: (3E)-1,1-dioxo-2-(3-pyridylmethyl)-3-(3-pyridylmethylene)benzo[e]thiazin-4-one (3E)-1,1-dioxo-2-(3-pyridylmethy…
| 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) | 1.79 | 6.18 | -16.23 | 0 | 6 | 0 | 80 | 377.425 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.79 | 6.46 | -52.29 | 1 | 6 | 1 | 81 | 378.433 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.79 | 6.46 | -44.7 | 1 | 6 | 1 | 81 | 378.433 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.79 | 6.74 | -97.3 | 2 | 6 | 2 | 83 | 379.441 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,1-diketo-3-methylene-benzo[e]thiazin-4-one](http://zinc12.docking.org/img/rings/6933.gif)
![1,1-diketo-2-(3-pyridylmethyl)-3-(3-pyridylmethylene)benzo[e]thiazin-4-one](http://zinc12.docking.org/img/rings/225705.gif)