| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 21 | Yes |
Popular Name: [(2S)-2-piperidyl]-[4-(2-pyridylmethyl)piperazin-1-yl]methanone [(2S)-2-piperidyl]-[4-(2-pyridyl…
| 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) | 0.46 | 3.76 | -39.77 | 2 | 5 | 1 | 53 | 289.403 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 2.5 | -9.63 | 1 | 5 | 0 | 48 | 288.395 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 4.15 | -82.76 | 3 | 5 | 2 | 54 | 290.411 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.46 | 6.34 | -180.51 | 4 | 5 | 3 | 55 | 291.419 | 3 | ↓ |
