| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 29 | 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) | 3.14 | 9.68 | -75.12 | 1 | 6 | 0 | 74 | 414.889 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 7.15 | -55.58 | 0 | 6 | -1 | 73 | 413.881 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.14 | 8.86 | -56.99 | 2 | 6 | 1 | 71 | 415.897 | 7 | ↓ |
