UCSF

ZINC95098758

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2013 60 No

CAS Number: 57-22-7

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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) 4.95 15.43 -113.72 5 14 2 174 826.988 10
Hi High (pH 8-9.5) 4.95 12.55 -49.71 4 14 1 172 825.98 10

Vendor Notes

Note Type Comments Provided By
Target Transcription factor p65(Q04206)&Proto-oncogene c-Fos(P01100)&Cyclic AMP-dependent transcription factor ATF-2(P15336)&Cyclic AMP-responsive element-binding protein 1(P16220)&Tumor necrosis factor(P01375)&Interleukin-1 beta(P01584)&Interleukin-6(P05231)&Gr Herbal Ingredients Targets

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

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