| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 32 | Yes |
| 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) | 4.60 | 11.46 | -54.5 | 2 | 5 | 1 | 49 | 459.054 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.60 | 10.42 | -10.39 | 1 | 5 | 0 | 45 | 458.046 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.60 | 13.51 | -137.27 | 3 | 5 | 2 | 51 | 460.062 | 9 | ↓ |
