| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 18th, 2010 | 32 | No |
| 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) | 3.15 | 5.17 | -30.25 | 5 | 12 | 1 | 162 | 505.357 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 3.1 | -9.72 | 4 | 12 | 0 | 161 | 504.349 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 3.87 | -35.65 | 3 | 12 | -1 | 163 | 503.341 | 6 | ↓ |
