| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 19th, 2011 | 32 | 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) | 4.39 | 12.99 | -73.36 | 4 | 5 | 0 | 50 | 448.636 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.39 | 10.64 | -12.96 | 2 | 5 | 0 | 48 | 446.62 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.39 | 10.74 | -22.28 | 3 | 5 | 0 | 49 | 447.628 | 6 | ↓ |
