| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 38 | 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) | 5.44 | 11.3 | -16.14 | 2 | 8 | 0 | 97 | 521.658 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.21 | 11.85 | -47.01 | 0 | 8 | -1 | 96 | 520.65 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.21 | 11.55 | -58.69 | 0 | 8 | -1 | 96 | 520.65 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.44 | 12.4 | -41.74 | 1 | 8 | -1 | 100 | 520.65 | 12 | ↓ |
