| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2009 | 30 | 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) | 3.16 | 10.47 | -46.23 | 1 | 6 | 0 | 78 | 448.35 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 8.26 | -33 | 0 | 6 | -1 | 77 | 447.342 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | 9.34 | -54.65 | 2 | 6 | 1 | 75 | 449.358 | 8 | ↓ |
