| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 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) | 3.53 | 10.6 | -69.96 | 1 | 5 | 0 | 65 | 398.89 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 8.06 | -57.79 | 0 | 5 | -1 | 64 | 397.882 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.98 | 1.89 | -47.51 | 2 | 5 | 1 | 62 | 399.898 | 5 | ↓ |
