| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2004 | 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) | 3.60 | 8.61 | -34.92 | 2 | 9 | 0 | 126 | 437.84 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 8.46 | -52.68 | 1 | 9 | -1 | 124 | 436.832 | 8 | ↓ |
