| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 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) | 4.81 | 8.02 | -16.41 | 2 | 6 | 0 | 78 | 446.334 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.58 | 8.61 | -43.31 | 0 | 6 | -1 | 77 | 445.326 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.58 | 8.17 | -54 | 0 | 6 | -1 | 77 | 445.326 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.81 | 8.95 | -36.5 | 1 | 6 | -1 | 81 | 445.326 | 5 | ↓ |
