| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 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) | 4.63 | 14.63 | -12.22 | 0 | 5 | 0 | 78 | 454.607 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.80 | 14.8 | -115.43 | 0 | 5 | -2 | 89 | 452.591 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.80 | 13.71 | -61.72 | 1 | 5 | -1 | 87 | 453.599 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.21 | 14.73 | -44.67 | 0 | 5 | -1 | 84 | 453.599 | 7 | ↓ |
