| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2011 | 17 | Yes |
Popular Name: (2S)-2-(4,4-dimethyl-1-piperidyl)-2-(1-methylpyrazol-4-yl)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) | 0.67 | 2.67 | -46.87 | 3 | 4 | 1 | 49 | 237.371 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.67 | 2.68 | -5.6 | 2 | 4 | 0 | 47 | 236.363 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 4.8 | -120.34 | 4 | 4 | 2 | 50 | 238.379 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 4.46 | -35.23 | 3 | 4 | 1 | 48 | 237.371 | 3 | ↓ |
