| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 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) | 3.43 | 8.93 | -69.3 | 2 | 8 | 0 | 104 | 482.577 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | 6.62 | -61.02 | 1 | 8 | -1 | 102 | 481.569 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.88 | 8.68 | -46.8 | 3 | 8 | 1 | 101 | 483.585 | 11 | ↓ |
