| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 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) | 2.75 | 5.77 | -58.21 | 1 | 6 | -1 | 90 | 400.838 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 6.02 | -12.46 | 1 | 6 | 0 | 84 | 401.846 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 5.75 | -20.28 | 2 | 6 | 0 | 87 | 401.846 | 6 | ↓ |
