| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2009 | 16 | Yes |
Popular Name: (4aS,8aS)-2-(4-piperidyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline (4aS,8aS)-2-(4-piperidyl)-3,4,4a…
| 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) | 2.45 | 6.18 | -31.85 | 2 | 2 | 1 | 16 | 223.384 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 5.73 | -37.68 | 2 | 2 | 1 | 20 | 223.384 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 7.53 | -102.95 | 3 | 2 | 2 | 21 | 224.392 | 1 | ↓ |
