| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 29 | Yes |
| 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) | 3.14 | 9.48 | -45.03 | 1 | 6 | 1 | 46 | 398.575 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 7.05 | -10.23 | 0 | 6 | 0 | 45 | 397.567 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.14 | 11.57 | -113.8 | 2 | 6 | 2 | 47 | 399.583 | 5 | ↓ |
