| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 31 | Yes |
Popular Name: N-[3-(4-methylpiperazin-1-yl)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide N-[3-(4-methylpiperazin-1-yl)pro…
| 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) | 4.78 | 10.73 | -46.9 | 2 | 5 | 1 | 50 | 437.633 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.78 | 8.36 | -14.06 | 1 | 5 | 0 | 48 | 436.625 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.78 | 10.62 | -50.25 | 2 | 5 | 1 | 50 | 437.633 | 7 | ↓ |
