| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2008 | 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) | 4.05 | 10.3 | -13.09 | 0 | 5 | 0 | 42 | 394.515 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 10.33 | -11.07 | 0 | 5 | 0 | 42 | 394.515 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 12.61 | -40.31 | 1 | 5 | 1 | 43 | 395.523 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 12.77 | -40.22 | 1 | 5 | 1 | 43 | 395.523 | 7 | ↓ |
