| 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) | 4.99 | 11.36 | -45.52 | 2 | 5 | 1 | 58 | 441.551 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.99 | 9.56 | -44 | 0 | 5 | -1 | 60 | 439.535 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.99 | 8.99 | -9.26 | 1 | 5 | 0 | 57 | 440.543 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.99 | 11.93 | -48.69 | 1 | 5 | 0 | 61 | 440.543 | 4 | ↓ |
