| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 18 | No |
Popular Name: (4aS,9aR)-2,3-dimethyl-1,4,4a,9a-tetrahydroanthracene-9,10-quinone (4aS,9aR)-2,3-dimethyl-1,4,4a,9a…
| 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) | 3.55 | 8.62 | -5.21 | 0 | 2 | 0 | 34 | 240.302 | 0 | ↓ |
| Ref Reference (pH 7) | 3.55 | 8.63 | -5.23 | 0 | 2 | 0 | 34 | 240.302 | 0 | ↓ |
| Ref Reference (pH 7) | 3.55 | 8.42 | -6.11 | 0 | 2 | 0 | 34 | 240.302 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4036680; US4036681; US4176125; US4363700; US4473439; US4561936; US4764252 | IBM Patent Data |
