| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 13th, 2004 | 36 | 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) | 4.59 | 7.75 | -18.91 | 3 | 8 | 0 | 108 | 493.604 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.36 | 8.31 | -49.62 | 1 | 8 | -1 | 107 | 492.596 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.36 | 8.02 | -62.35 | 1 | 8 | -1 | 107 | 492.596 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.59 | 8.88 | -44.43 | 2 | 8 | -1 | 111 | 492.596 | 10 | ↓ |
