| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 13th, 2010 | 35 | 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) | 2.42 | 7.89 | -44.69 | 3 | 8 | 1 | 84 | 484.665 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 7.9 | -47.19 | 3 | 8 | 1 | 84 | 484.665 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.42 | 9.81 | -117.72 | 4 | 8 | 2 | 85 | 485.673 | 9 | ↓ |
