| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 39 | 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) | 9.05 | 17.92 | -55.83 | 4 | 4 | 2 | 52 | 514.717 | 12 | ↓ |
| Hi High (pH 8-9.5) | 9.05 | 17.53 | -33.01 | 3 | 4 | 1 | 51 | 513.709 | 12 | ↓ |
| Hi High (pH 8-9.5) | 9.05 | 17.15 | -16.67 | 2 | 4 | 0 | 50 | 512.701 | 12 | ↓ |
