| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2011 | 20 | Yes |
Popular Name: (2S)-2-[4-(2-dimethylaminoethyl)piperazin-1-yl]-2-(4-pyridyl)ethanamine (2S)-2-[4-(2-dimethylaminoethyl)…
| 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) | -0.64 | 1.97 | -91.04 | 4 | 5 | 2 | 51 | 279.432 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | -0.51 | -48.64 | 3 | 5 | 1 | 50 | 278.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | 1.53 | -37.54 | 3 | 5 | 1 | 50 | 278.424 | 6 | ↓ |
