| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 17 | No |
| 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) | 1.82 | 1.71 | -35.49 | 2 | 5 | -1 | 98 | 274.035 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 2.81 | -103.89 | 1 | 5 | -2 | 100 | 273.027 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | -3.07 | -11.71 | 2 | 5 | 0 | 91 | 275.043 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 3.31 | -105.27 | 1 | 5 | -2 | 100 | 273.027 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 3.31 | -98.07 | 1 | 5 | -2 | 100 | 273.027 | 0 | ↓ |
