| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 24 | No |
Popular Name: (2R,3R)-3,4,6-trihydroxy-5,7-dimethoxy-2-methyl-10-methylene-2,3-dihydroanthracen-9-one (2R,3R)-3,4,6-trihydroxy-5,7-dim…
| 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) | 1.19 | 1.53 | -11.99 | 3 | 6 | 0 | 96 | 330.336 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 3.22 | -97.19 | 1 | 6 | -2 | 102 | 328.32 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 2.18 | -48.19 | 2 | 6 | -1 | 99 | 329.328 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 2.57 | -53.38 | 2 | 6 | -1 | 99 | 329.328 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
