| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 33 | Yes |
| 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) | 4.92 | 14.89 | -12.22 | 0 | 5 | 0 | 78 | 454.607 | 8 | ↓ |
| Mid Mid (pH 6-8) | 6.09 | 11.97 | -39.19 | 1 | 5 | -1 | 87 | 453.599 | 8 | ↓ |
| Mid Mid (pH 6-8) | 6.09 | 12.67 | -113.57 | 0 | 5 | -2 | 89 | 452.591 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.50 | 13.57 | -40.25 | 0 | 5 | -1 | 84 | 453.599 | 8 | ↓ |
| Mid Mid (pH 6-8) | 6.09 | 11.87 | -39.04 | 1 | 5 | -1 | 87 | 453.599 | 8 | ↓ |
