| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2009 | 18 | Yes |
Popular Name: [(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[(2S)-2-piperidyl]methanone [(4aR,8aR)-3,4,4a,5,6,7,8,8a-oct…
| 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) | 2.63 | 7.04 | -36.44 | 2 | 3 | 1 | 37 | 251.394 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 5.78 | -7.29 | 1 | 3 | 0 | 32 | 250.386 | 1 | ↓ |
