UCSF

ZINC03977902

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 28 No

CAS Number: 128-13-2

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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

Vendor Notes

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

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )