| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 15th, 2010 | 22 | 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) | 3.41 | 7.77 | -32.75 | 2 | 4 | 1 | 50 | 298.41 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 5.87 | -14.92 | 1 | 4 | 0 | 48 | 297.402 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | 8.73 | -88.85 | 3 | 4 | 2 | 51 | 299.418 | 2 | ↓ |
