| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 33 | 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) | 7.39 | 12.95 | -11.75 | 1 | 5 | 0 | 64 | 479.001 | 6 | ↓ |
| Mid Mid (pH 6-8) | 6.90 | 12.83 | -45.29 | 0 | 5 | -1 | 63 | 477.993 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 6.89 | 13.54 | -17.31 | 1 | 5 | 0 | 60 | 479.001 | 7 | ↓ |
