| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 13 | 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) | -0.89 | 0.15 | -52.8 | 3 | 4 | 1 | 49 | 202.303 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.89 | -1.46 | -10.08 | 2 | 4 | 0 | 44 | 201.295 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.89 | 1.24 | -105.22 | 4 | 4 | 2 | 54 | 203.311 | 1 | ↓ |
