| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2008 | 19 | No |
Popular Name: 2-hydroxy-3-[(E)-4-hydroxy-3-methyl-but-2-enyl]naphthalene-1,4-dione 2-hydroxy-3-[(E)-4-hydroxy-3-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) | 1.92 | 4.5 | -47.4 | 1 | 4 | -1 | 77 | 257.265 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 3.88 | -27.95 | 2 | 4 | 0 | 75 | 258.273 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 4.3 | -12.63 | 1 | 4 | 0 | 71 | 258.273 | 3 | ↓ |
