| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 30 | 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) | 6.27 | 10.12 | -10.19 | 2 | 5 | 0 | 69 | 444.362 | 5 | ↓ |
| Hi High (pH 8-9.5) | 6.04 | 10.44 | -49.44 | 0 | 5 | -1 | 68 | 443.354 | 5 | ↓ |
| Hi High (pH 8-9.5) | 6.04 | 10.75 | -51.69 | 0 | 5 | -1 | 68 | 443.354 | 5 | ↓ |
| Hi High (pH 8-9.5) | 6.27 | 11.1 | -33.81 | 1 | 5 | -1 | 72 | 443.354 | 5 | ↓ |
