| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2007 | 39 | 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) | 4.42 | 9.73 | -58.85 | 0 | 8 | -1 | 91 | 527.597 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | -0.03 | -52.23 | 1 | 8 | 1 | 86 | 529.613 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.42 | 12.13 | -73.25 | 1 | 8 | 0 | 93 | 528.605 | 9 | ↓ |
