| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2011 | 20 | Yes |
Popular Name: (2S)-2-[4-(2-dimethylaminoethyl)piperazin-1-yl]-2-(5-methyl-2-thienyl)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) | 0.77 | 3.4 | -90.36 | 4 | 4 | 2 | 39 | 298.5 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.77 | 3.08 | -36.43 | 3 | 4 | 1 | 37 | 297.492 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.77 | 0.92 | -45.91 | 3 | 4 | 1 | 37 | 297.492 | 6 | ↓ |
