| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 30 | No |
None
None
| 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) | 4.84 | 8.68 | -41.35 | 2 | 5 | 1 | 58 | 448.37 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.84 | 7.17 | -42.77 | 0 | 5 | -1 | 60 | 446.354 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.84 | 6.4 | -7.77 | 1 | 5 | 0 | 57 | 447.362 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.84 | 9.45 | -51.33 | 1 | 5 | 0 | 61 | 447.362 | 4 | ↓ |
