| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 31st, 2005 | 25 | 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) | 2.55 | 11.08 | -27.16 | 1 | 8 | 0 | 106 | 357.395 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 10.41 | -47.54 | 0 | 8 | -1 | 107 | 356.387 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 10.86 | -50.33 | 0 | 8 | -1 | 107 | 356.387 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 7.04 | -12.56 | 1 | 8 | 0 | 89 | 423.448 | 4 | ↓ |
