| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 32 | 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) | 3.87 | 11.49 | -40.48 | 0 | 7 | -1 | 100 | 447.492 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.32 | 0.32 | -30.83 | 1 | 7 | 0 | 96 | 448.5 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 0.54 | -20.24 | 0 | 7 | 0 | 93 | 448.5 | 6 | ↓ |
