UCSF

ZINC08234189

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2006 34 No

Popular Name: withaferin a withaferin a

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CAS Number: 5119-48-2

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) 3.86 -3.39 -21.7 2 6 0 96 470.606 3 ↓

Vendor Notes

Note Type Comments Provided By
Target Transcription factor p65(Q04206)&Caspase-9(P55211)&Caspase-3(P42574)&Caspase-8(Q14790)&Tumor necrosis factor receptor superfamily member 1A(P19438)&Acetylcholinesterase(P22303)&Prostaglandin G/H synthase 2(P35354)&Apoptosis regulator Bcl-2(P10415)&Bcl-2-l Herbal Ingredients Targets

Activity (Go SEA)

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