| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 28 | 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) | 2.47 | 4.29 | -42.89 | 3 | 6 | 1 | 78 | 401.508 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 2.59 | -45.48 | 1 | 6 | -1 | 80 | 399.492 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 4.86 | -30.78 | 2 | 6 | 0 | 81 | 400.5 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 2.02 | -10.2 | 2 | 6 | 0 | 77 | 400.5 | 5 | ↓ |
