| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 13 | No |
Popular Name: (3aR,7aS)-3a,7a-dihydroxy-4,5-dihydroisobenzofuran-1,3-dione (3aR,7aS)-3a,7a-dihydroxy-4,5-di…
| 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) | -0.08 | 0.46 | -8.88 | 2 | 5 | 0 | 84 | 184.147 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 1.28 | -44.85 | 1 | 5 | -1 | 87 | 183.139 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 1.22 | -46.55 | 1 | 5 | -1 | 87 | 183.139 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
