| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 24th, 2008 | 17 | Yes |
Popular Name: (1R,2S)-2-(4-methylpiperazin-1-yl)-1-phenyl-propan-1-amine (1R,2S)-2-(4-methylpiperazin-1-y…
| 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) | -0.32 | 4.72 | -97.45 | 4 | 3 | 2 | 35 | 235.375 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.32 | 2.24 | -48.14 | 3 | 3 | 1 | 34 | 234.367 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.32 | 1.96 | -2.38 | 2 | 3 | 0 | 32 | 233.359 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 4.01 | -29.1 | 3 | 3 | 1 | 34 | 234.367 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 4.29 | -116.26 | 4 | 3 | 2 | 35 | 235.375 | 3 | ↓ |
