| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 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) | 3.58 | 10.43 | -80.65 | 2 | 7 | 0 | 94 | 472.541 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 7.91 | -63.25 | 1 | 7 | -1 | 93 | 471.533 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | 9.62 | -60.1 | 3 | 7 | 1 | 92 | 473.549 | 9 | ↓ |
