| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 29 | 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) | 4.45 | 9.62 | -68.42 | 4 | 6 | 1 | 84 | 401.575 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.45 | 10.84 | -102.58 | 3 | 6 | 0 | 87 | 400.567 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.45 | 10.04 | -122.06 | 5 | 6 | 2 | 85 | 402.583 | 10 | ↓ |
