UCSF

ZINC95098860

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2013 43 No

Popular Name: rutin rutin

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CAS Number: 153-18-4

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.06 -13.12 -21.25 10 16 0 269 610.521 6 ↓

Vendor Notes

Note Type Comments Provided By
Target G1/S-specific cyclin-D1(P24385)&Prostaglandin G/H synthase 2(P35354)&Myc proto-oncogene protein(P01106)&Transcription factor AP-1(P05412)&Apoptosis regulator Bcl-2(P10415)&Bcl-2-like protein 1(Q07817)&Bcl-2-related protein A1(Q16548)&TNF receptor-associat Herbal Ingredients Targets

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

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