UCSF

ZINC02810002

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 15 Yes

Popular Name: methyl N-(1-phenylethyl)-beta-alaninate methyl N-(1-phenylethyl)-beta-al…

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CAS Numbers: 42792-67-6 , [42792-67-6]

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) 1.88 6.75 -43.86 2 3 1 43 208.281 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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