| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 12th, 2013 | 31 | Yes |
| 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) | -3.29 | -1.32 | -26.12 | 4 | 11 | 0 | 169 | 440.401 | 1 | ↓ |
| Hi High (pH 8-9.5) | -3.29 | -0.74 | -72.45 | 3 | 11 | -1 | 172 | 439.393 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Nuclear receptor subfamily 1 group I member 3(Q14994) | Herbal Ingredients Targets |
No pre-computed analogs available. Try a structural similarity search.