UCSF

ZINC01634282

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 No

Popular Name: 1-[4-(pyridin-1-ium-1-yl)butyl]pyridin-1-ium dibromide 1-[4-(pyridin-1-ium-1-yl)butyl]p…

Find On: PubMed — Wikipedia — Google

CAS Number: 14208-08-3

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) -5.74 10.65 -77.79 0 2 2 8 214.312 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0276497B1; US3945822; US3972719; US4049454; US4059446; US4130428; US4130429; US4177071; US4893021 IBM Patent Data

Activity (Go SEA)

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