| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2008 | 22 | Yes |
Popular Name: 1-(5-chloro-2-pyridyl)-4-[[(2S)-1-ethyl-2-piperidyl]methyl]piperazine 1-(5-chloro-2-pyridyl)-4-[[(2S)-…
None
| 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) | 3.18 | 9.94 | -114.19 | 2 | 4 | 2 | 25 | 324.9 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 6.97 | -3.32 | 0 | 4 | 0 | 23 | 322.884 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 7.71 | -38.9 | 1 | 4 | 1 | 24 | 323.892 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 7.99 | -35.8 | 1 | 4 | 1 | 24 | 323.892 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 9.47 | -75.96 | 2 | 4 | 2 | 25 | 324.9 | 4 | ↓ |
