| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 37 | 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) | 5.28 | 8.31 | -18.36 | 3 | 8 | 0 | 108 | 507.631 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.05 | 8.83 | -62.38 | 1 | 8 | -1 | 107 | 506.623 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.05 | 8.63 | -53.64 | 1 | 8 | -1 | 107 | 506.623 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.28 | 9.23 | -45.12 | 2 | 8 | -1 | 111 | 506.623 | 12 | ↓ |
