| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 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) | 0.38 | 1.44 | -95.97 | 6 | 8 | 2 | 111 | 426.554 | 14 | ↓ |
| Hi High (pH 8-9.5) | 0.38 | -1.38 | -12.93 | 4 | 8 | 0 | 101 | 424.538 | 14 | ↓ |
| Hi High (pH 8-9.5) | 0.38 | 0.01 | -50.17 | 5 | 8 | 1 | 106 | 425.546 | 14 | ↓ |
