UCSF

ZINC11755170

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2008 13 Yes

Popular Name: N-(4-chlorophenyl)-beta-alaninamide N-(4-chlorophenyl)-beta-alaninamide

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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) 0.87 2.06 -52.06 4 3 1 57 199.661 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5026711 IBM Patent Data

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