| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 34 | 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) | 3.27 | 5.34 | -16.21 | 3 | 8 | 0 | 112 | 476.92 | 5 | ↓ |
| Ref Reference (pH 7) | 3.27 | 5.25 | -13.32 | 3 | 8 | 0 | 112 | 476.92 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 6.25 | -51.8 | 1 | 8 | -1 | 110 | 475.912 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 5.85 | -52.6 | 1 | 8 | -1 | 110 | 475.912 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 6.38 | -37.13 | 2 | 8 | -1 | 114 | 475.912 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 6.02 | -50.57 | 2 | 8 | -1 | 114 | 475.912 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 4.9 | -45.43 | 3 | 8 | 1 | 109 | 477.928 | 5 | ↓ |
