| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 15 | Yes |
Popular Name: 3-[(2S)-tetrahydrofuran-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepine 3-[(2S)-tetrahydrofuran-2-yl]-6,…
| 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) | -0.51 | 3.24 | -62.51 | 2 | 5 | 1 | 57 | 209.273 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.51 | 1.89 | -13.28 | 1 | 5 | 0 | 52 | 208.265 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepine](http://zinc12.docking.org/img/rings/1805.gif)
![3-(tetrahydrofuryl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepine](http://zinc12.docking.org/img/rings/579689.gif)