| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2010 | 31 | 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) | 3.69 | 3.96 | -10.99 | 3 | 8 | 0 | 108 | 508.756 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 3.6 | -50.19 | 1 | 8 | -1 | 107 | 507.748 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 4.73 | -47.09 | 2 | 8 | -1 | 111 | 507.748 | 6 | ↓ |
