| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 17 | Yes |
Popular Name: (2S)-1-(4-benzylpiperazin-1-yl)propan-2-amine (2S)-1-(4-benzylpiperazin-1-yl)p…
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CAS Number: N/A
| 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) | 0.84 | 5.23 | -98.59 | 4 | 3 | 2 | 35 | 235.375 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 2.85 | -40.7 | 3 | 3 | 1 | 34 | 234.367 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4988814 | IBM Patent Data |
