| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 27 | 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) | 3.77 | 7.7 | -14.15 | 2 | 5 | 0 | 86 | 391.533 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 8.06 | -46.98 | 1 | 5 | -1 | 84 | 390.525 | 4 | ↓ |
