| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 23 | 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) | 0.97 | 3.08 | -9.06 | 2 | 7 | 0 | 102 | 322.313 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 3.03 | -47.13 | 1 | 7 | -1 | 105 | 321.305 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 2.61 | -46.57 | 1 | 7 | -1 | 105 | 321.305 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 3.1 | -48.83 | 1 | 7 | -1 | 105 | 321.305 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 4.12 | -49.23 | 1 | 7 | -1 | 105 | 321.305 | 2 | ↓ |
