UCSF

ZINC95098774

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2013 52 No

Popular Name: LS-187549 LS-187549

Find On: PubMed — Wikipedia — Google

CAS Number: 121521-90-2

Other Names:

salvianolic acid b

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) 1.62 3.99 -144.77 7 16 -2 284 716.604 14 ↓

Vendor Notes

Note Type Comments Provided By
Target Caspase-3(P42574)&Myc proto-oncogene protein(P01106)&Retinoblastoma-associated protein(P06400)&Cyclin-dependent kinase inhibitor 2A, isoforms 1/2/3(P42771)&NTF2-related export protein 1(Q9UKK6)&Cellular tumor antigen p53(P04637)&Apoptosis regulator Bcl-2( Herbal Ingredients Targets

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.