| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 29 | No |
Popular Name: 4-[5-oxo-3-(1,1,4,4-tetramethyltetralin-6-yl)-4H-pyrazol-1-yl]benzoic 4-[5-oxo-3-(1,1,4,4-tetramethylt…
| 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) | 5.32 | 12.61 | -53.6 | 1 | 5 | -1 | 78 | 389.475 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.78 | 10.71 | -49.34 | 1 | 5 | -1 | 78 | 389.475 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0625045A1; US5998395; WO1993015740A1 | IBM Patent Data |
