| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 25 | 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) | 1.14 | 7.31 | -72.55 | 1 | 6 | 0 | 78 | 357.435 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 4.77 | -61.3 | 0 | 6 | -1 | 77 | 356.427 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 6.49 | -49.27 | 2 | 6 | 1 | 75 | 358.443 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 8.12 | -93.65 | 2 | 6 | 1 | 79 | 358.443 | 6 | ↓ |
