| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 11th, 2009 | 29 | No |
Popular Name: [1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl [1-(2-diethylaminoethylamino)-9-…
None
| 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) | 4.27 | 7.69 | -103.84 | 3 | 6 | 2 | 82 | 436.599 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.27 | 5.56 | -37.42 | 2 | 6 | 1 | 81 | 435.591 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.08 | 6.75 | -15 | 1 | 6 | 0 | 76 | 434.583 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0507629A1; EP0507629B1; EP0671174A2; EP0715847A2; US5178857; US5277912; US5562915 | IBM Patent Data |
