| 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) | 3.53 | 9.06 | -42.79 | 2 | 8 | 1 | 104 | 424.477 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 9.83 | -49.3 | 1 | 8 | 0 | 107 | 423.469 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 7.56 | -42.5 | 0 | 8 | -1 | 106 | 422.461 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 6.79 | -10.31 | 1 | 8 | 0 | 103 | 423.469 | 5 | ↓ |
