| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2005 | 28 | No |
Popular Name: 4-(3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydro-9-acridinyl)benzonitrile 4-(3,3,6,6-tetramethyl-1,8-dioxo…
| 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) | 4.33 | 1.06 | -15.67 | 0 | 4 | 0 | 70 | 374.484 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.33 | 1.2 | -17.84 | 0 | 4 | 0 | 70 | 374.484 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.49 | -0.09 | -12.73 | 0 | 4 | 0 | 70 | 374.484 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0823426A1; US5969139; US6162918 | IBM Patent Data |
