UCSF

ZINC19387959

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 15 Yes

Popular Name: 1-[(6-Chloropyridin-3-yl)methyl]-4-methylpiperazine 1-[(6-Chloropyridin-3-yl)methyl]…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 612487-31-7 , [612487-31-7] , [612487-49-7]

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) 1.42 4.32 -38.3 1 3 1 21 226.731 2 ↓
Mid Mid (pH 6-8) 1.42 4.25 -43.51 1 3 1 21 226.731 2 ↓
Mid Mid (pH 6-8) 1.42 1.85 -4.46 0 3 0 19 225.723 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
melting_point BP: (0.01 mbar) 118 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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