| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2009 | 31 | 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) | 1.02 | 9.41 | -40.99 | 3 | 7 | 0 | 114 | 442.899 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 7.36 | -42.27 | 2 | 7 | -1 | 110 | 441.891 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 9.18 | -50.31 | 2 | 7 | -1 | 110 | 441.891 | 4 | ↓ |
