| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 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) | 2.44 | 6.66 | -60.93 | 0 | 8 | -1 | 95 | 453.515 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.88 | 7.93 | -58.98 | 2 | 8 | 1 | 94 | 455.531 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 8.93 | -54.99 | 1 | 8 | 1 | 90 | 455.531 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 8.99 | -73.46 | 1 | 8 | 0 | 96 | 454.523 | 9 | ↓ |
