| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2009 | 31 | 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) | 3.89 | 11.58 | -68.6 | 1 | 6 | 0 | 78 | 418.493 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 9.03 | -59.44 | 0 | 6 | -1 | 77 | 417.485 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.89 | 10.76 | -45.56 | 2 | 6 | 1 | 75 | 419.501 | 7 | ↓ |
