UCSF

ZINC01724263

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Popular Name: (2S)-2-cyano-3-phenyl-propionamide (2S)-2-cyano-3-phenyl-propionamide

Find On: PubMed — Wikipedia — Google

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) 1.00 2.86 -9.28 2 3 0 67 174.203 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5242939; WO2000055128A1 IBM Patent Data

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