| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 35 | 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) | 5.43 | 13.59 | -67.76 | 1 | 6 | 0 | 78 | 474.601 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.43 | 11.28 | -59.12 | 0 | 6 | -1 | 77 | 473.593 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.43 | 12.77 | -44.65 | 2 | 6 | 1 | 75 | 475.609 | 9 | ↓ |
