| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2010 | 40 | No |
None
| 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) | 2.83 | 11.75 | -62.35 | 4 | 7 | 1 | 97 | 539.7 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 11.37 | -23.28 | 3 | 7 | 0 | 96 | 538.692 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 8.91 | -63.38 | 3 | 7 | 0 | 104 | 538.692 | 9 | ↓ |
