| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 28 | 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) | 2.74 | 8.41 | -71.8 | 1 | 6 | 0 | 74 | 400.5 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 5.89 | -58.77 | 0 | 6 | -1 | 73 | 399.492 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.74 | 7.6 | -50.34 | 2 | 6 | 1 | 71 | 401.508 | 7 | ↓ |
