| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2008 | 28 | No |
None
| 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) | 3.83 | 9.12 | -30.61 | 1 | 5 | 0 | 61 | 398.89 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.83 | 6.78 | -40.1 | 0 | 5 | -1 | 60 | 397.882 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 8.31 | -45.98 | 2 | 5 | 1 | 58 | 399.898 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 9.1 | -45.88 | 1 | 5 | 0 | 61 | 398.89 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 5.99 | -12.59 | 1 | 5 | 0 | 57 | 398.89 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.83 | 8.33 | -45.96 | 2 | 5 | 1 | 58 | 399.898 | 4 | ↓ |
