| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 31 | 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) | 3.96 | 8.62 | -41.58 | 2 | 6 | 1 | 67 | 423.533 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.96 | 7.13 | -44.38 | 0 | 6 | -1 | 69 | 421.517 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.96 | 6.36 | -8.63 | 1 | 6 | 0 | 66 | 422.525 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.96 | 9.39 | -52.42 | 1 | 6 | 0 | 70 | 422.525 | 6 | ↓ |
