| 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) | 3.40 | 7.65 | -45.53 | 2 | 8 | 1 | 86 | 469.558 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 6.13 | -42.53 | 0 | 8 | -1 | 87 | 467.542 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 5.37 | -9.85 | 1 | 8 | 0 | 85 | 468.55 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 8.4 | -53.09 | 1 | 8 | 0 | 89 | 468.55 | 7 | ↓ |
