| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2006 | 28 | 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) | 3.43 | 9.01 | -54.75 | 0 | 5 | -1 | 70 | 402.829 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.87 | 0.62 | -17.36 | 1 | 5 | 0 | 66 | 403.837 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 0.59 | -11.41 | 0 | 5 | 0 | 63 | 403.837 | 7 | ↓ |
