| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2005 | 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) | 3.07 | 5.25 | -43.8 | 1 | 3 | -1 | 60 | 237.234 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 6.02 | -112.36 | 0 | 3 | -2 | 63 | 236.226 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | 5.25 | -9.54 | 1 | 3 | 0 | 54 | 238.242 | 1 | ↓ |
