| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 32 | 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) | 4.62 | 10.43 | -41.92 | 2 | 5 | 1 | 58 | 427.524 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.62 | 8.06 | -9.08 | 1 | 5 | 0 | 57 | 426.516 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.62 | 8.83 | -43.85 | 0 | 5 | -1 | 60 | 425.508 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.62 | 11.19 | -52.06 | 1 | 5 | 0 | 61 | 426.516 | 4 | ↓ |
