| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 27 | 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) | 3.86 | 10.83 | -36.86 | 1 | 3 | 1 | 11 | 364.557 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 10.94 | -40.71 | 1 | 3 | 1 | 11 | 364.557 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 13.18 | -112.34 | 2 | 3 | 2 | 12 | 365.565 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 12.98 | -93.48 | 2 | 3 | 2 | 12 | 365.565 | 6 | ↓ |
