| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2011 | 16 | Yes |
Popular Name: (4S)-4-ethyl-1-[(3R,6S)-6-methyl-3-piperidyl]azepane (4S)-4-ethyl-1-[(3R,6S)-6-methyl…
| 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) | 2.95 | 6.24 | -29.81 | 2 | 2 | 1 | 16 | 225.4 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.95 | 5.24 | -36.76 | 2 | 2 | 1 | 20 | 225.4 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.95 | 7.49 | -105.24 | 3 | 2 | 2 | 21 | 226.408 | 2 | ↓ |
