| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2009 | 18 | Yes |
Popular Name: (4aS,8aS)-2-[2-[(2S)-2-piperidyl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline (4aS,8aS)-2-[2-[(2S)-2-piperidyl…
| 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) | 3.58 | 9.33 | -109.68 | 3 | 2 | 2 | 21 | 252.446 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 8.07 | -34.51 | 2 | 2 | 1 | 16 | 251.438 | 3 | ↓ |
