| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2011 | 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) | -1.61 | 1.67 | -48.91 | 2 | 8 | -1 | 117 | 319.293 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | 1.85 | -44.31 | 3 | 8 | 0 | 121 | 320.301 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | 0.9 | -39.52 | 3 | 8 | 0 | 121 | 320.301 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.43 | -0.61 | -76.8 | 2 | 8 | -1 | 128 | 319.293 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.43 | -1.27 | -70.33 | 2 | 8 | -1 | 128 | 319.293 | 4 | ↓ |
