| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2006 | 30 | 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) | 2.54 | 5.67 | -60.25 | 1 | 7 | -1 | 99 | 410.446 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | -1.7 | -14.15 | 2 | 7 | 0 | 96 | 411.454 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | -1.84 | -22.73 | 1 | 7 | 0 | 93 | 411.454 | 9 | ↓ |
