| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2010 | 26 | No |
Popular Name: 3-(4-benzylpiperazin-1-yl)-1-(3-nitrophenyl)propan-1-one 3-(4-benzylpiperazin-1-yl)-1-(3-…
| 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) | 2.99 | 10.77 | -53.86 | 1 | 6 | 1 | 71 | 354.43 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 8.51 | -15.5 | 0 | 6 | 0 | 69 | 353.422 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 10.77 | -58.56 | 1 | 6 | 1 | 71 | 354.43 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0792269A2; US5658909; US5693804; US6075026; WO1996015792A1; WO1996016052A2 | IBM Patent Data |
