| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2006 | 29 | 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) | 3.37 | 8.23 | -59.12 | 0 | 6 | -1 | 83 | 408.455 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 0.37 | -12.77 | 1 | 6 | 0 | 79 | 409.463 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 0.25 | -12.74 | 0 | 6 | 0 | 76 | 409.463 | 6 | ↓ |
