| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 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) | 3.60 | 7.61 | -52.5 | 3 | 5 | 1 | 58 | 416.973 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 6.67 | -11.44 | 2 | 5 | 0 | 54 | 415.965 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.60 | 9.75 | -133.42 | 4 | 5 | 2 | 59 | 417.981 | 7 | ↓ |
