UCSF

ZINC05583130

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 18 No

Popular Name: 1-[6-(pyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide 1-[6-(pyridin-1-ium-1-yl)hexyl]p…

Find On: PubMed — Wikipedia — Google

CAS Number: 53952-75-3

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) -5.31 3.42 -70.06 0 2 2 7 242.366 7 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0108039A2; US4578489 IBM Patent Data

Activity (Go SEA)

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