| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2005 | 35 | 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) | 8.32 | 17.48 | -25.96 | 2 | 5 | 1 | 57 | 535.506 | 8 | ↓ |
| Hi High (pH 8-9.5) | 8.32 | 18.11 | -18.12 | 1 | 5 | 0 | 56 | 534.498 | 8 | ↓ |
| Mid Mid (pH 6-8) | 8.32 | 17.93 | -82.58 | 3 | 5 | 2 | 61 | 536.514 | 8 | ↓ |
