| 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) | 4.58 | 8.22 | -11.66 | 2 | 6 | 0 | 78 | 470.367 | 6 | ↓ |
| Ref Reference (pH 7) | 4.58 | 8.86 | -13.01 | 2 | 6 | 0 | 78 | 470.367 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.36 | 9 | -43.33 | 0 | 6 | -1 | 77 | 469.359 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.36 | 8.53 | -51.58 | 0 | 6 | -1 | 77 | 469.359 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.58 | 9.06 | -36.69 | 1 | 6 | -1 | 81 | 469.359 | 6 | ↓ |
