| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2010 | 45 | 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) | 6.59 | 18.47 | -200.09 | 8 | 5 | 3 | 73 | 612.971 | 20 | ↓ |
| Hi High (pH 8-9.5) | 6.59 | 17.32 | -121.16 | 7 | 5 | 2 | 68 | 611.963 | 20 | ↓ |
| Lo Low (pH 4.5-6) | 6.59 | 19.28 | -368.48 | 9 | 5 | 4 | 77 | 613.979 | 20 | ↓ |
