| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2007 | 33 | 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) | 2.77 | 3.75 | -17.91 | 3 | 9 | 0 | 117 | 473.913 | 7 | ↓ |
| Ref Reference (pH 7) | 2.77 | 3.2 | -13.52 | 3 | 9 | 0 | 117 | 473.913 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 3.25 | -60.2 | 1 | 9 | -1 | 116 | 472.905 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 4.04 | -51.21 | 1 | 9 | -1 | 116 | 472.905 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 4.51 | -44.12 | 2 | 9 | -1 | 120 | 472.905 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 3.96 | -49.7 | 2 | 9 | -1 | 120 | 472.905 | 7 | ↓ |
