| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2010 | 15 | Yes |
Popular Name: [(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-piperidyl]methanamine [(2S)-1-[(1-methylpyrazol-4-yl)m…
| 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) | -0.18 | 2.36 | -45.47 | 3 | 4 | 1 | 49 | 209.317 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.18 | 3.75 | -32.54 | 3 | 4 | 1 | 48 | 209.317 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.18 | 4.25 | -121.59 | 4 | 4 | 2 | 50 | 210.325 | 3 | ↓ |
