| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 25 | 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) | 2.90 | 3.46 | -19.49 | 2 | 8 | 0 | 104 | 339.355 | 4 | ↓ |
| Ref Reference (pH 7) | 2.90 | 5.21 | -18.21 | 2 | 8 | 0 | 104 | 339.355 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 3.44 | -57.86 | 1 | 8 | -1 | 104 | 338.347 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 2.72 | -48.87 | 1 | 8 | -1 | 107 | 338.347 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 3.86 | -121.46 | 0 | 8 | -2 | 110 | 337.339 | 4 | ↓ |
