| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2011 | 17 | Yes |
Popular Name: (2S)-2-(4,4-dimethyl-1-piperidyl)-2-(4-pyridyl)ethanamine (2S)-2-(4,4-dimethyl-1-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) | 1.00 | 3.39 | -47.35 | 3 | 3 | 1 | 44 | 234.367 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 3.31 | -3.08 | 2 | 3 | 0 | 42 | 233.359 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 5.34 | -126.28 | 4 | 3 | 2 | 45 | 235.375 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 4.99 | -37.36 | 3 | 3 | 1 | 43 | 234.367 | 3 | ↓ |
