| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | No |
Popular Name: [1-ethyl-4-(1,4-thiazepan-4-yl)-4-piperidyl]methanamine [1-ethyl-4-(1,4-thiazepan-4-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) | 0.67 | 4.7 | -112.79 | 4 | 3 | 2 | 35 | 259.463 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.67 | 4.05 | -37.5 | 3 | 3 | 1 | 34 | 258.455 | 3 | ↓ |
