| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 23 | No |
Popular Name: CC(=O)[C@@H]1[C@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)C)/C=C/c2ccccc2 CC(=O)[C@@H]1[C@H]([C@@H]([C@@](…
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) | 2.55 | 6.47 | -38.52 | 1 | 4 | -1 | 77 | 313.373 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 1.08 | -11.56 | 1 | 4 | 0 | 71 | 314.381 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 1.3 | -16.38 | 2 | 4 | 0 | 74 | 314.381 | 4 | ↓ |
