| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2009 | 32 | Yes |
Popular Name: [(3S,5R)-3,5-dimethyl-1-piperidyl]-[1-[4-(2-pyridyl)piperazin-1-yl]-4-isoquinolyl]methanone [(3S,5R)-3,5-dimethyl-1-piperidy…
| 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) | 3.54 | 13.68 | -38.95 | 1 | 6 | 1 | 54 | 430.576 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 13.37 | -10.82 | 0 | 6 | 0 | 53 | 429.568 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.54 | 14.14 | -89.13 | 2 | 6 | 2 | 55 | 431.584 | 3 | ↓ |
