| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 17 | Yes |
Popular Name: (2S)-1-(4-methylpiperazin-1-yl)-3-phenyl-propan-2-amine (2S)-1-(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) | 0.90 | 5.61 | -97.51 | 4 | 3 | 2 | 35 | 235.375 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 3.14 | -41.81 | 3 | 3 | 1 | 34 | 234.367 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 5.06 | -128.86 | 4 | 3 | 2 | 35 | 235.375 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4320051 | IBM Patent Data |
