| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 32 | Yes |
None
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) | 5.45 | 8.98 | -40.05 | 2 | 5 | 1 | 58 | 512.346 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.45 | 6.72 | -6.67 | 1 | 5 | 0 | 57 | 511.338 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.45 | 7.48 | -36.1 | 0 | 5 | -1 | 60 | 510.33 | 5 | ↓ |
