| 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) | 3.52 | 9.8 | -51.7 | 1 | 6 | 1 | 45 | 441.592 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 7.63 | -11.69 | 0 | 6 | 0 | 43 | 440.584 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 11.97 | -142.68 | 2 | 6 | 2 | 46 | 442.6 | 7 | ↓ |
