UCSF

ZINC01668371

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: {2-[(2-chlorobenzyl)thio]ethyl}amine {2-[(2-chlorobenzyl)thio]ethyl}a…

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CAS Numbers: , 42416-23-9 , [42416-23-9]

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) 1.87 5.1 -44.12 3 1 1 28 202.73 4 ↓

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