| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 35 | 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) | 5.71 | 13.67 | -66.07 | 1 | 6 | 0 | 74 | 499.051 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.71 | 11.35 | -55.94 | 0 | 6 | -1 | 73 | 498.043 | 12 | ↓ |
| Mid Mid (pH 6-8) | 5.13 | 1.58 | -44.58 | 1 | 6 | 1 | 68 | 500.059 | 12 | ↓ |
