| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 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) | 4.77 | 11.62 | -64.13 | 3 | 6 | 1 | 72 | 415.602 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.77 | 9.56 | -17.52 | 2 | 6 | 0 | 70 | 414.594 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 4.77 | 12.03 | -117.48 | 4 | 6 | 2 | 73 | 416.61 | 11 | ↓ |
