| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2009 | 16 | 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) | -3.16 | -1.43 | -90.84 | 5 | 6 | 1 | 89 | 231.32 | 2 | ↓ |
| Hi High (pH 8-9.5) | -3.16 | -0.97 | -70.12 | 5 | 6 | 1 | 85 | 231.32 | 2 | ↓ |
| Hi High (pH 8-9.5) | -3.16 | -2.56 | -28.56 | 4 | 6 | 0 | 81 | 230.312 | 2 | ↓ |
| Mid Mid (pH 6-8) | -3.16 | -2.49 | -43.46 | 4 | 6 | 0 | 84 | 230.312 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -3.16 | -3.42 | -106.41 | 6 | 6 | 2 | 86 | 232.328 | 2 | ↓ |
