In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2005 | 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 | 7.75 | -47.16 | 2 | 4 | -1 | 81 | 391.572 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.25 | 5.77 | -6.78 | 3 | 4 | 0 | 78 | 392.58 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Therapy | anticholelithogenic | SMDC Pharmakon |
therap | anticholelithogenic; LD50(rat) 890 mg/kg ip | MicroSource Spectrum |
Target | C-reactive protein(P02741)&Monocyte differentiation antigen CD14(P08571)&Osteocalcin(P02818)&SPARC(P09486)&Biglycan(P21810)&Collagen alpha-1(I) chain(P02452) | Herbal Ingredients Targets |