| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 23 | No |
Popular Name: (5R)-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-thiol (5R)-5-(4-methylpiperazin-1-yl)-…
| 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) | 3.93 | 11.13 | -62.43 | 1 | 2 | 0 | 8 | 342.533 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 10.23 | -46.7 | 1 | 2 | 0 | 8 | 342.533 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 8.76 | -47.3 | 0 | 2 | -1 | 6 | 341.525 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 10.58 | -38.87 | 1 | 2 | 1 | 8 | 343.541 | 1 | ↓ |
