| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 31st, 2005 | 25 | 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) | 2.55 | 11.8 | -25.55 | 1 | 8 | 0 | 106 | 357.395 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 10.85 | -50.66 | 0 | 8 | -1 | 107 | 356.387 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 9.01 | -11.46 | 1 | 6 | 0 | 68 | 408.498 | 5 | ↓ |
