| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 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) | 3.35 | 7.43 | -11.85 | 1 | 7 | 0 | 117 | 417.513 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 2.83 | -117.1 | 3 | 7 | 2 | 119 | 419.529 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 9.75 | -58.46 | 2 | 7 | 1 | 118 | 418.521 | 6 | ↓ |
