| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 31 | Yes |
Popular Name: LS-111122 LS-111122
1-(2-chloro-7-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine
| 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) | 4.87 | 12.49 | -46.1 | 1 | 4 | 1 | 26 | 464.026 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.87 | 11.7 | -44.29 | 1 | 4 | 1 | 26 | 464.026 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.87 | 10.17 | -5.52 | 0 | 4 | 0 | 25 | 463.018 | 4 | ↓ |
