UCSF

ZINC03831460

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 30 No

CAS Numbers: 83-46-5 , 83-46-5 ; 68555-08-8

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) 8.86 2.1 -1.19 1 1 0 20 414.718 6

Vendor Notes

Note Type Comments Provided By
Target RNA-binding protein FUS(P35637)&Apoptosis regulator Bcl-2(P10415)&Transcription factor AP-1(P05412)&Proto-oncogene c-Fos(P01100)&RAF proto-oncogene serine/threonine-protein kinase(P04049)&Interleukin-8(P10145)&Cytochrome P450 1A1(P04798)&Inositol-3-phosph Herbal Ingredients Targets

Activity (Go SEA)

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

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