| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 33 | 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) | 4.05 | 7.37 | -15.61 | 2 | 8 | 0 | 97 | 451.523 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 7.84 | -50.63 | 0 | 8 | -1 | 96 | 450.515 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 8.12 | -59 | 0 | 8 | -1 | 96 | 450.515 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.05 | 8.49 | -40.11 | 1 | 8 | -1 | 100 | 450.515 | 7 | ↓ |
