| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 35 | 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) | 4.50 | 7.08 | -19.05 | 3 | 8 | 0 | 108 | 479.577 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.27 | 7.64 | -49.36 | 1 | 8 | -1 | 107 | 478.569 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.27 | 7.36 | -62.03 | 1 | 8 | -1 | 107 | 478.569 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.50 | 8.22 | -44.03 | 2 | 8 | -1 | 111 | 478.569 | 10 | ↓ |
