| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 33 | 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) | 3.66 | 9.27 | -15.62 | 1 | 9 | 0 | 119 | 445.431 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 10.17 | -51.79 | 0 | 9 | -1 | 122 | 444.423 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 9.6 | -47.5 | 0 | 9 | -1 | 122 | 444.423 | 6 | ↓ |
