| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2008 | 26 | Yes |
Popular Name: 2-[4-[(5S)-3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]ethanol 2-[4-[(5S)-3-chloro-9-fluoro-5,6…
| 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) | 3.89 | 7.94 | -41.96 | 2 | 3 | 1 | 28 | 393.935 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 6.36 | -6.21 | 1 | 3 | 0 | 27 | 392.927 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 8.76 | -40.1 | 2 | 3 | 1 | 28 | 393.935 | 3 | ↓ |
