| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2006 | 18 | 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 | 6.26 | -43.62 | 1 | 3 | -1 | 60 | 239.25 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 7.06 | -90.66 | 0 | 3 | -2 | 63 | 238.242 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 0.78 | -18.85 | 1 | 3 | 0 | 54 | 240.258 | 4 | ↓ |
