| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 28 | Yes |
Popular Name: 1,8-dihydroxy-10-[(1S)-1-methoxy-3-phenyl-propyl]-10H-anthracen-9-one 1,8-dihydroxy-10-[(1S)-1-methoxy…
| 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) | 5.27 | 9.13 | -15.6 | 2 | 4 | 0 | 67 | 374.436 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.27 | 10.47 | -68.44 | 1 | 4 | -1 | 70 | 373.428 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0664780A1; EP0664780B1; US5426197; US5661187; US5844004; US5952390; US6127426 | IBM Patent Data |
