UCSF

ZINC00784585

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 16 Yes

Popular Name: (3-Chloro-benzyl)-pyridin-3-ylmethyl-amine (3-Chloro-benzyl)-pyridin-3-ylme…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 501033-40-5 , 510723-53-2

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) 2.31 -0.75 -49.28 2 2 1 29 233.722 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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