| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 27th, 2010 | 19 | Yes |
Popular Name: (2S)-2-[4-(dimethylaminomethyl)-1-piperidyl]-2-(1-methylpyrazol-4-yl)ethanamine (2S)-2-[4-(dimethylaminomethyl)-…
| 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) | -0.09 | 3.84 | -92.97 | 4 | 5 | 2 | 53 | 267.421 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | 6.14 | -90.48 | 4 | 5 | 2 | 53 | 267.421 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | 3.39 | -38.97 | 3 | 5 | 1 | 52 | 266.413 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.09 | 5.84 | -193.78 | 5 | 5 | 3 | 54 | 268.429 | 5 | ↓ |
