| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 21 | No |
Popular Name: (2R,10aR)-2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione (2R,10aR)-2,6-dihydroxy-1,1,7-tr…
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) | 2.03 | 2.71 | -9.31 | 2 | 4 | 0 | 75 | 286.327 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 3.49 | -45.15 | 1 | 4 | -1 | 77 | 285.319 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 3.49 | -45.16 | 1 | 4 | -1 | 77 | 285.319 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 4.57 | -45 | 1 | 4 | -1 | 77 | 285.319 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 4.56 | -44.99 | 1 | 4 | -1 | 77 | 285.319 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
