| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 22 | No |
Popular Name: 5-[(3R)-1-(1,4-dithiepan-6-yl)-3-piperidyl]-4-ethyl-2-methyl-1,2,4-triazol-3-one 5-[(3R)-1-(1,4-dithiepan-6-yl)-3…
| 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) | 0.95 | 7.64 | -11.41 | 0 | 5 | 0 | 43 | 342.534 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 9.78 | -53.54 | 1 | 5 | 1 | 44 | 343.542 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[1-(1,4-dithiepan-6-yl)-3-piperidyl]-1,4-dihydro-1,2,4-triazol-5-one](http://zinc12.docking.org/img/rings/564542.gif)