| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 34 | No |
| 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) | 3.85 | 11.15 | -69.48 | 1 | 7 | 0 | 87 | 466.509 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.85 | 8.84 | -63.3 | 0 | 7 | -1 | 86 | 465.501 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.85 | 10.33 | -47.12 | 2 | 7 | 1 | 84 | 467.517 | 9 | ↓ |
