| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 19 | No |
Popular Name: (2S)-2-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butanamide (2S)-2-bromo-N-(3-cyano-5,6,7,8-…
| 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) | 3.87 | 8 | -6.26 | 1 | 3 | 0 | 53 | 341.274 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.05 | 6.76 | -34.72 | 0 | 3 | -1 | 59 | 340.266 | 3 | ↓ |
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)