| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 34 | 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) | 3.83 | 9.32 | -49.6 | 2 | 7 | 1 | 72 | 462.57 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.83 | 7.82 | -47.44 | 0 | 7 | -1 | 74 | 460.554 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.83 | 10.08 | -59.54 | 1 | 7 | 0 | 75 | 461.562 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.83 | 7.05 | -11.76 | 1 | 7 | 0 | 71 | 461.562 | 5 | ↓ |
