| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2008 | 30 | 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) | 3.66 | 7.11 | -43.33 | 4 | 7 | 1 | 92 | 484.321 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 6.27 | -42.6 | 3 | 7 | 0 | 98 | 483.313 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 5.16 | -16.98 | 3 | 7 | 0 | 91 | 483.313 | 9 | ↓ |
