| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2009 | 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) | 2.31 | 6.5 | -72.45 | 3 | 6 | 0 | 97 | 414.889 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 5.01 | -57.3 | 2 | 6 | -1 | 93 | 413.881 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 5.67 | -54.35 | 4 | 6 | 1 | 94 | 415.897 | 8 | ↓ |
