UCSF

ZINC04521192

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 12 Yes

Popular Name: 1-Benzosuberone 1-Benzosuberone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 826-73-3 , [826-73-3]

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) 2.75 1.17 -5.72 0 1 0 17 160.216 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 1 - 1 Enamine Building Blocks
MP 1...1 Enamine Building Blocks
BP 270 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0296560A2; EP0296560B1; EP0468187A2; EP0468187B1; EP0579263A1; EP0607864A2; EP0607864A3; EP0673927A1; EP0742207A1; EP0757051A1; EP0774465A1; EP0952826A1; EP0971713A1; EP0975624A1; US4895841; US5100901; US5527800; US5686466; US5962535; WO1998031356A1; WO IBM Patent Data

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