| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 27 | Yes |
Popular Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophen-2-yl)amino]-2-oxo-ethyl] [2-[(3-cyano-5,6,7,8-tetrahydro-…
| 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) | 4.74 | 9.14 | -14.53 | 2 | 6 | 0 | 99 | 404.875 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.74 | 10.17 | -46.56 | 1 | 6 | -1 | 102 | 403.867 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene](http://zinc12.docking.org/img/rings/1471.gif)
![Benzoic Acid [2-keto-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylamino)ethyl] Ester](http://zinc12.docking.org/img/rings/39902.gif)