| 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 | 8.6 | -17.41 | 3 | 8 | 0 | 108 | 507.631 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.05 | 9.16 | -47.76 | 1 | 8 | -1 | 107 | 506.623 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.05 | 8.85 | -59.23 | 1 | 8 | -1 | 107 | 506.623 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.28 | 9.7 | -42.3 | 2 | 8 | -1 | 111 | 506.623 | 12 | ↓ |
