| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 24 | Yes |
Popular Name: (5S)-3-chloro-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-8-ol (5S)-3-chloro-5-(4-methylpiperaz…
| 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) | 3.88 | 8.31 | -41.29 | 2 | 3 | 1 | 28 | 361.918 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.88 | 5.85 | -6.91 | 1 | 3 | 0 | 27 | 360.91 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.88 | 7.42 | -36.49 | 2 | 3 | 1 | 28 | 361.918 | 1 | ↓ |
