| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 22nd, 2009 | 28 | 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) | 3.88 | 8.06 | -40.44 | 2 | 5 | 1 | 58 | 399.898 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.88 | 6.57 | -40.66 | 0 | 5 | -1 | 60 | 397.882 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.88 | 8.06 | -42.92 | 2 | 5 | 1 | 58 | 399.898 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.88 | 5.78 | -7.4 | 1 | 5 | 0 | 57 | 398.89 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.88 | 8.82 | -27.33 | 1 | 5 | 0 | 61 | 398.89 | 4 | ↓ |
