| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 15 | Yes |
Popular Name: (5S)-9-bromo-1,1-dioxo-2,3,4,5-tetrahydrobenzo[b]thiepin-5-amine (5S)-9-bromo-1,1-dioxo-2,3,4,5-t…
| 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) | -0.15 | 1.98 | -69.52 | 3 | 3 | 1 | 62 | 291.19 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.15 | 1.83 | -13.04 | 2 | 3 | 0 | 60 | 290.182 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,4,5-tetrahydrobenzo[b]thiepine 1,1-dioxide](http://zinc12.docking.org/img/rings/221873.gif)