| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 21 | Yes |
Popular Name: 3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-benzo[e][1,2,4]thiadiazine 3-[(5-ethyl-1H-1,2,4-triazol-3-y…
| 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) | 1.47 | 3.72 | -22.34 | 2 | 7 | 0 | 100 | 323.403 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 3.29 | -45.03 | 1 | 7 | -1 | 102 | 322.395 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 3.7 | -25.28 | 2 | 7 | 0 | 100 | 323.403 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 3.31 | -38.4 | 1 | 7 | -1 | 102 | 322.395 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide](http://zinc12.docking.org/img/rings/14099.gif)
![3-[(1H-1,2,4-triazol-5-ylthio)methyl]-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide](http://zinc12.docking.org/img/rings/510499.gif)