| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 16 | Yes |
Popular Name: (2S)-2-(4-methylpiperazin-1-yl)-2-(5-methyl-2-thienyl)ethanamine (2S)-2-(4-methylpiperazin-1-yl)-…
| 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) | 0.74 | 3.71 | -101.38 | 4 | 3 | 2 | 35 | 241.404 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 1.02 | -3.38 | 2 | 3 | 0 | 32 | 239.388 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 1.35 | -45.34 | 3 | 3 | 1 | 34 | 240.396 | 3 | ↓ |
