| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 20 | Yes |
| 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) | 3.58 | 6.6 | -9.59 | 1 | 4 | 0 | 55 | 266.3 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 6.06 | -18.78 | 1 | 4 | 0 | 55 | 266.3 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.04 | 4.77 | -51.04 | 0 | 4 | -1 | 58 | 265.292 | 2 | ↓ |
