| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 29 | Yes |
Popular Name: 4-(2,4-difluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine 4-(2,4-difluorophenyl)-2-(4-prop…
| 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) | 6.32 | 14.78 | -97.79 | 2 | 3 | 2 | 22 | 401.545 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.32 | 12.28 | -4.92 | 0 | 3 | 0 | 19 | 399.529 | 4 | ↓ |
| Mid Mid (pH 6-8) | 6.32 | 14.49 | -39.57 | 1 | 3 | 1 | 21 | 400.537 | 4 | ↓ |
| Mid Mid (pH 6-8) | 6.32 | 12.56 | -27.15 | 1 | 3 | 1 | 21 | 400.537 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5021421 | IBM Patent Data |
