| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 30 | 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) | 1.83 | 2.36 | -46.45 | 1 | 9 | -1 | 123 | 411.39 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 3.28 | -107.16 | 0 | 9 | -2 | 126 | 410.382 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 4.13 | -14.63 | 2 | 9 | 0 | 120 | 412.398 | 6 | ↓ |
