| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 28 | Yes |
| 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) | 3.65 | 6.96 | -11.47 | 2 | 6 | 0 | 78 | 397.862 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 7.21 | -53.74 | 0 | 6 | -1 | 77 | 396.854 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 7.41 | -43.89 | 0 | 6 | -1 | 77 | 396.854 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 7.86 | -46.16 | 1 | 6 | -1 | 81 | 396.854 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 7.73 | -51.24 | 1 | 6 | -1 | 81 | 396.854 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 7.08 | -12.78 | 2 | 6 | 0 | 78 | 397.862 | 6 | ↓ |
