| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 2009 | 39 | 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) | 6.73 | 13.85 | -44.72 | 2 | 5 | 1 | 46 | 543.753 | 9 | ↓ |
| Hi High (pH 8-9.5) | 6.73 | 11.3 | -10.93 | 1 | 5 | 0 | 45 | 542.745 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 6.73 | 15.81 | -92.74 | 3 | 5 | 2 | 48 | 544.761 | 9 | ↓ |
