| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2011 | 16 | 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) | 2.99 | 5.86 | -31.93 | 2 | 2 | 1 | 16 | 225.4 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 5.08 | -37.3 | 2 | 2 | 1 | 20 | 225.4 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.99 | 7.3 | -108.3 | 3 | 2 | 2 | 21 | 226.408 | 2 | ↓ |
