| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2008 | 18 | No |
Popular Name: 2-[(Z)-3-chlorobut-2-enyl]-3-hydroxy-naphthalene-1,4-dione 2-[(Z)-3-chlorobut-2-enyl]-3-hyd…
| 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) | 2.71 | 7.54 | -40.14 | 0 | 3 | -1 | 57 | 261.684 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 7.34 | -9.41 | 0 | 3 | 0 | 51 | 262.692 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 6.78 | -18.89 | 1 | 3 | 0 | 54 | 262.692 | 2 | ↓ |
