| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 37 | No |
None
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) | 3.72 | 11.21 | -61.87 | 2 | 8 | 1 | 95 | 499.543 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 9.65 | -44.82 | 0 | 8 | -1 | 97 | 497.527 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 9.06 | -21.86 | 1 | 8 | 0 | 94 | 498.535 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 11.79 | -35.04 | 1 | 8 | 0 | 98 | 498.535 | 3 | ↓ |
