| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 21 | No |
Popular Name: CC(=O)[C@@H]1[C@@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)C)c2cccnc2 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) | 0.19 | 2.48 | -49.24 | 1 | 5 | -1 | 90 | 288.323 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | -0.33 | -8.22 | 1 | 5 | 0 | 84 | 289.331 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.19 | -0.87 | -32.2 | 2 | 5 | 0 | 87 | 289.331 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.40 | -0.22 | -43.81 | 2 | 5 | 1 | 85 | 290.339 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.19 | -0.76 | -83.92 | 3 | 5 | 1 | 88 | 290.339 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.19 | 3.16 | -43.02 | 2 | 5 | 0 | 92 | 289.331 | 2 | ↓ |
