| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2007 | 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) | 5.48 | 14.67 | -40.84 | 0 | 6 | -1 | 83 | 517.605 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.89 | 14.24 | -26.11 | 0 | 6 | 0 | 77 | 518.613 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.92 | 13.25 | -29.73 | 1 | 6 | 0 | 80 | 518.613 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.48 | 13.87 | -44.81 | 2 | 6 | 1 | 81 | 519.621 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.89 | 14.53 | -54.1 | 1 | 6 | 1 | 78 | 519.621 | 9 | ↓ |
