| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2009 | 37 | 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 | 1.94 | -57.12 | 6 | 11 | 0 | 179 | 512.515 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 2.38 | -55.04 | 5 | 11 | -1 | 177 | 511.507 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.02 | 0.07 | -42.53 | 7 | 11 | 1 | 176 | 513.523 | 7 | ↓ |
