| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 20 | Yes |
Popular Name: (4aS,9aR)-1,3,8-trihydroxy-6-methyl-4a,9a-dihydroanthracene-9,10-dione (4aS,9aR)-1,3,8-trihydroxy-6-met…
| 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) | 3.06 | -2.11 | -10.53 | 5 | 5 | 0 | 101 | 272.256 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 2.81 | -51.07 | 2 | 5 | -1 | 98 | 271.248 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 1.75 | -51.91 | 2 | 5 | -1 | 98 | 271.248 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 1.75 | -51.94 | 2 | 5 | -1 | 98 | 271.248 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 2.82 | -51.07 | 2 | 5 | -1 | 98 | 271.248 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 1.78 | -48.1 | 2 | 5 | -1 | 98 | 271.248 | 0 | ↓ |
