| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 33 | 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) | 4.17 | 11.08 | -42.19 | 2 | 6 | 1 | 63 | 446.571 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.17 | 11.66 | -46.98 | 1 | 6 | 0 | 66 | 445.563 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.17 | 8.81 | -9.73 | 1 | 6 | 0 | 62 | 445.563 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.17 | 9.38 | -45.57 | 0 | 6 | -1 | 65 | 444.555 | 5 | ↓ |
