| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 25th, 2011 | 16 | Yes |
Popular Name: (1S)-1-[(2R)-1-(2-pyridylmethyl)-2-piperidyl]ethanamine (1S)-1-[(2R)-1-(2-pyridylmethyl)…
| 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) | 0.67 | 3.59 | -45.31 | 3 | 3 | 1 | 44 | 220.34 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 3.6 | -99.13 | 4 | 3 | 2 | 45 | 221.348 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 5.52 | -117.75 | 4 | 3 | 2 | 45 | 221.348 | 3 | ↓ |
