| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 32 | 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) | 3.75 | 7.93 | -48.47 | 3 | 7 | 1 | 80 | 455.604 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 9.6 | -70.05 | 2 | 7 | 0 | 82 | 454.596 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 8.41 | -52.74 | 1 | 7 | -1 | 78 | 453.588 | 6 | ↓ |
