| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 31 | 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) | 4.61 | 12.05 | -68.35 | 1 | 5 | 0 | 65 | 465.352 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.61 | 9.73 | -53.11 | 0 | 5 | -1 | 64 | 464.344 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.61 | 11.23 | -55.25 | 2 | 5 | 1 | 62 | 466.36 | 8 | ↓ |
