| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 32 | 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) | 3.46 | 10.54 | -77.6 | 2 | 6 | 0 | 85 | 434.467 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 8.85 | -132.82 | 0 | 6 | -2 | 87 | 432.451 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 11.38 | -133.61 | 1 | 6 | -1 | 88 | 433.459 | 6 | ↓ |
