| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 30 | 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) | 4.83 | 13.75 | -94 | 2 | 5 | 2 | 44 | 412.574 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.83 | 9.18 | -9.8 | 0 | 5 | 0 | 42 | 410.558 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.83 | 11.23 | -50.41 | 1 | 5 | 1 | 43 | 411.566 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.83 | 11.56 | -40.75 | 1 | 5 | 1 | 43 | 411.566 | 12 | ↓ |
