| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2006 | 30 | 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) | 3.21 | 8.6 | -59.5 | 0 | 6 | -1 | 79 | 412.437 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 0.79 | -12.15 | 1 | 6 | 0 | 76 | 413.445 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 0.71 | -19.89 | 0 | 6 | 0 | 72 | 413.445 | 9 | ↓ |
