| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 28 | 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) | 3.31 | 4.62 | -12.66 | 3 | 6 | 0 | 89 | 401.825 | 4 | ↓ |
| Ref Reference (pH 7) | 3.31 | 4.59 | -10.14 | 3 | 6 | 0 | 89 | 401.825 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 4.99 | -42.14 | 1 | 6 | -1 | 88 | 400.817 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 4.56 | -53.37 | 1 | 6 | -1 | 88 | 400.817 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 5.34 | -37.74 | 2 | 6 | -1 | 92 | 400.817 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 5.36 | -46.73 | 2 | 6 | -1 | 92 | 400.817 | 4 | ↓ |
