| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2008 | 20 | Yes |
Popular Name: (1S)-1-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine (1S)-1-(3,4-dimethoxyphenyl)-2-(…
| 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) | -1.00 | 4.08 | -110.07 | 4 | 5 | 2 | 54 | 281.4 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.00 | 1.33 | -5.92 | 2 | 5 | 0 | 51 | 279.384 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.00 | 3.26 | -40.56 | 3 | 5 | 1 | 52 | 280.392 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.00 | 1.61 | -51.18 | 3 | 5 | 1 | 53 | 280.392 | 5 | ↓ |
