| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 22 | No |
Popular Name: CC(=O)[C@@H]1[C@@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)C)c2ccc(cc2)O CC(=O)[C@@H]1[C@@H]([C@@H]([C@@]…
| 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) | 1.42 | 1.62 | -48.95 | 2 | 5 | -1 | 98 | 303.334 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | -0.01 | -48.68 | 2 | 5 | 0 | 91 | 304.342 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | -0.29 | -27.66 | 3 | 5 | 0 | 94 | 304.342 | 3 | ↓ |
