| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 32 | Yes |
| 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) | 5.15 | 16.19 | -20.83 | 1 | 6 | 0 | 72 | 445.885 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.15 | 16.92 | -48.54 | 1 | 6 | -1 | 73 | 444.877 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.15 | 17.19 | -15.07 | 2 | 6 | 0 | 75 | 445.885 | 4 | ↓ |
