| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 31 | No |
None
| 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) | -1.01 | 6.15 | -58.32 | 8 | 9 | 1 | 156 | 451.979 | 12 | ↓ |
| Mid Mid (pH 6-8) | -1.14 | 6.46 | -64.05 | 8 | 9 | 1 | 159 | 451.979 | 11 | ↓ |
| Mid Mid (pH 6-8) | -1.14 | 6.5 | -95.8 | 9 | 9 | 2 | 160 | 452.987 | 11 | ↓ |
