| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 24 | 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) | 2.50 | 2.58 | -16.54 | 2 | 8 | 0 | 104 | 325.328 | 3 | ↓ |
| Ref Reference (pH 7) | 2.50 | 4.28 | -16.19 | 2 | 8 | 0 | 104 | 325.328 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 2.48 | -53.39 | 1 | 8 | -1 | 104 | 324.32 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 0.91 | -135.16 | 0 | 8 | -2 | 110 | 323.312 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 2.52 | -56.19 | 1 | 8 | -1 | 104 | 324.32 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 0.13 | -48.97 | 1 | 8 | -1 | 107 | 324.32 | 3 | ↓ |
