| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2008 | 30 | 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) | 3.48 | 11.45 | -21.04 | 1 | 7 | 0 | 86 | 444.63 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 10.38 | -50.85 | 0 | 7 | -1 | 92 | 443.622 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.48 | 11.58 | -48 | 2 | 7 | 1 | 87 | 445.638 | 8 | ↓ |
