| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 33 | 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) | 5.37 | 11.19 | -16.75 | 3 | 5 | 0 | 85 | 453.567 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.37 | 11.97 | -56.78 | 2 | 5 | -1 | 88 | 452.559 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.71 | -2.19 | -10.48 | 2 | 5 | 0 | 85 | 453.567 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.89 | -0.78 | -19.53 | 2 | 5 | 0 | 85 | 453.567 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.89 | -2.72 | -11.5 | 2 | 5 | 0 | 85 | 453.567 | 6 | ↓ |
