| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 12th, 2009 | 27 | No |
Popular Name: lithocholic acid lithocholic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 434-13-9
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) | 5.16 | 10.84 | -46.21 | 1 | 3 | -1 | 60 | 375.573 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.16 | 8.87 | -5.7 | 2 | 3 | 0 | 58 | 376.581 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| therap | LD50(mouse) 3900 mg/kg po | MicroSource Spectrum |
No pre-computed analogs available. Try a structural similarity search.