| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2008 | 33 | 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) | 4.72 | 12.24 | -71.22 | 1 | 6 | 0 | 74 | 450.579 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.72 | 9.7 | -59.23 | 0 | 6 | -1 | 73 | 449.571 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.72 | 11.42 | -48.63 | 2 | 6 | 1 | 71 | 451.587 | 9 | ↓ |
