| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 28 | No |
| 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) | 4.01 | 9.98 | -35.13 | 2 | 7 | 1 | 87 | 414.536 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 9.75 | -38.49 | 1 | 7 | 0 | 89 | 413.528 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 8.99 | -12.39 | 1 | 7 | 0 | 86 | 413.528 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 8.55 | -34.78 | 0 | 7 | -1 | 88 | 412.52 | 6 | ↓ |
