| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2006 | 29 | 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) | 2.52 | 7.13 | -63.32 | 0 | 7 | -1 | 92 | 398.435 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 0.32 | -12.89 | 1 | 7 | 0 | 89 | 399.443 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 0.19 | -20.93 | 0 | 7 | 0 | 86 | 399.443 | 9 | ↓ |
