| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2006 | 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) | 3.59 | 9.37 | -58.02 | 0 | 5 | -1 | 70 | 414.84 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.04 | 0.04 | -22.01 | 1 | 5 | 0 | 66 | 415.848 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | -0.67 | -12.43 | 0 | 5 | 0 | 63 | 415.848 | 5 | ↓ |
