UCSF

ZINC04670115

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2005 13 Yes

Popular Name: (4-Chloro-benzylamino)-acetic acid (4-Chloro-benzylamino)-acetic acid

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CAS Numbers: 114479-33-3 , 90562-54-2

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) 0.51 5 -42.61 2 3 0 57 199.637 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 237 - 239 Enamine Building Blocks
MP 237...239 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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