| 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) | 3.72 | 7.67 | -44.18 | 2 | 7 | 1 | 77 | 502.385 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 5.31 | -9.6 | 1 | 7 | 0 | 75 | 501.377 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 5.88 | -43.45 | 0 | 7 | -1 | 78 | 500.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 8.25 | -47.44 | 1 | 7 | 0 | 79 | 501.377 | 3 | ↓ |
