| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 9th, 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) | 3.89 | 1.51 | -45.63 | 2 | 5 | 1 | 62 | 413.925 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.33 | 1.09 | -55.08 | 2 | 5 | 1 | 62 | 413.925 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 1.46 | -54.47 | 1 | 5 | 1 | 58 | 413.925 | 6 | ↓ |
