| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 27 | Yes |
Popular Name: 4-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine 4-(2,4-difluorophenyl)-2-(4-ethy…
| 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) | 5.31 | 13.56 | -94.55 | 2 | 3 | 2 | 22 | 373.491 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.31 | 11.03 | -5.44 | 0 | 3 | 0 | 19 | 371.475 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.31 | 13.27 | -39.04 | 1 | 3 | 1 | 21 | 372.483 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.31 | 11.33 | -27.31 | 1 | 3 | 1 | 21 | 372.483 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5021421 | IBM Patent Data |
