| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2006 | 38 | 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) | 4.53 | 8.69 | -19.25 | 3 | 8 | 0 | 108 | 513.594 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.53 | 9.58 | -49.23 | 2 | 8 | -1 | 111 | 512.586 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.30 | 8.88 | -64.51 | 1 | 8 | -1 | 107 | 512.586 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.30 | 9.39 | -55.82 | 1 | 8 | -1 | 107 | 512.586 | 9 | ↓ |
