| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 33 | 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) | 3.86 | 11.42 | -70.81 | 1 | 6 | 0 | 78 | 465.55 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 8.88 | -64.02 | 0 | 6 | -1 | 77 | 464.542 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 11.72 | -50.71 | 1 | 6 | 1 | 72 | 466.558 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 11.42 | -47.19 | 2 | 6 | 1 | 75 | 466.558 | 7 | ↓ |
