| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 24th, 2008 | 17 | Yes |
Popular Name: (1S,2S)-2-(4-methylpiperazin-1-yl)-1-phenyl-propan-1-amine (1S,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 | 5.03 | -102.2 | 4 | 3 | 2 | 35 | 235.375 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.32 | 2.56 | -43.62 | 3 | 3 | 1 | 34 | 234.367 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.32 | 2.27 | -1.94 | 2 | 3 | 0 | 32 | 233.359 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 4.17 | -32.59 | 3 | 3 | 1 | 34 | 234.367 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 4.46 | -130.46 | 4 | 3 | 2 | 35 | 235.375 | 3 | ↓ |
