UCSF

ZINC19787682

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 13 Yes

Popular Name: (2-Chloro-benzylamino)-acetic acid (2-Chloro-benzylamino)-acetic acid

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CAS Number: 88720-45-0

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) 0.46 4.9 -37.9 2 3 0 57 199.637 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5677448 IBM Patent Data

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