| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 27th, 2011 | 22 | 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) | -2.81 | -8.14 | -208.96 | 7 | 12 | 0 | 208 | 338.213 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.81 | -9.11 | -20.67 | 5 | 12 | 0 | 205 | 336.197 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.81 | -9.29 | -68.29 | 8 | 12 | 0 | 205 | 339.221 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.81 | -9.16 | -72.26 | 6 | 12 | 0 | 206 | 337.205 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.