| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 30 | 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) | 4.47 | 6.6 | -14.89 | 3 | 6 | 0 | 89 | 446.334 | 5 | ↓ |
| Ref Reference (pH 7) | 4.47 | 6.55 | -12.35 | 3 | 6 | 0 | 89 | 446.334 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.47 | 7.35 | -43.62 | 2 | 6 | -1 | 92 | 445.326 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.24 | 6.35 | -51.81 | 1 | 6 | -1 | 88 | 445.326 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.24 | 6.39 | -55.41 | 1 | 6 | -1 | 88 | 445.326 | 5 | ↓ |
