UCSF

ZINC02383483

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 12 No

Popular Name: {2-[(4-chlorobenzyl)thio]ethyl}amine {2-[(4-chlorobenzyl)thio]ethyl}a…

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CAS Numbers: , 60116-21-4 , 99048-99-4

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) 1.92 5.19 -46.2 3 1 1 28 202.73 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 16 - 18 Enamine Building Blocks
MP 16...18 Enamine Building Blocks
MP 167 - 169 Enamine Building Blocks
MP 167...169 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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