| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2012 | 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) | 4.25 | 8.2 | -50.36 | 2 | 4 | -1 | 81 | 391.572 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.25 | 6.22 | -8.44 | 3 | 4 | 0 | 78 | 392.58 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Notes | Bile acid | Apollo Scientific Bioactives |
No pre-computed analogs available. Try a structural similarity search.