| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2010 | 21 | No |
Popular Name: 1-(4H-1,2,4-triazol-3-ylsulfanyl)-3,4-dihydrobenzo[a]indolizine-2,6-dione 1-(4H-1,2,4-triazol-3-ylsulfanyl…
| 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) | 1.27 | 6.87 | -17.48 | 1 | 6 | 0 | 81 | 298.327 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 6.69 | -50.53 | 0 | 6 | -1 | 79 | 297.319 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3,4-dihydropyrido[1,2-b]isoindole-2,6-quinone](http://zinc12.docking.org/img/rings/520926.gif)
![1-(1H-1,2,4-triazol-3-ylthio)-3,4-dihydropyrido[1,2-b]isoindole-2,6-quinone](http://zinc12.docking.org/img/rings/520925.gif)