| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 25th, 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) | 4.11 | 10.46 | -58.47 | 0 | 5 | -1 | 70 | 412.893 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.11 | 0.77 | -11.94 | 1 | 5 | 0 | 66 | 413.901 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 0.64 | -21.21 | 0 | 5 | 0 | 63 | 413.901 | 7 | ↓ |
