| 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) | 3.68 | 6.56 | -14.5 | 2 | 6 | 0 | 78 | 397.862 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 7.22 | -52.86 | 0 | 6 | -1 | 77 | 396.854 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 7.17 | -59.13 | 0 | 6 | -1 | 77 | 396.854 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 7.53 | -38.2 | 1 | 6 | -1 | 81 | 396.854 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 7.33 | -53.12 | 1 | 6 | -1 | 81 | 396.854 | 6 | ↓ |
