| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 14 | 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) | 0.74 | 3.52 | -95.12 | 4 | 3 | 2 | 45 | 213.35 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 0.85 | -4.64 | 2 | 3 | 0 | 42 | 211.334 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 3.12 | -31.75 | 3 | 3 | 1 | 43 | 212.342 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 1.24 | -45.14 | 3 | 3 | 1 | 44 | 212.342 | 3 | ↓ |
