| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 32 | 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) | 3.37 | 4.84 | -18.48 | 3 | 8 | 0 | 108 | 457.914 | 7 | ↓ |
| Ref Reference (pH 7) | 3.37 | 4.61 | -13.47 | 3 | 8 | 0 | 108 | 457.914 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 4.62 | -49.04 | 1 | 8 | -1 | 107 | 456.906 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 4.35 | -56.93 | 1 | 8 | -1 | 107 | 456.906 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 5.6 | -43.52 | 2 | 8 | -1 | 111 | 456.906 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 5.37 | -49.16 | 2 | 8 | -1 | 111 | 456.906 | 7 | ↓ |
