UCSF

ZINC01649280

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: 3-Benzylamino-propionic acid 3-Benzylamino-propionic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5426-62-0 , 86266-64-0 , [5426-62-0]

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) 1.01 5.03 -52.44 2 3 0 57 179.219 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 173 - 175 Enamine Building Blocks
MP 173...175 Enamine Building Blocks
MP 181° Matrix Scientific
MP 187 - 189 Enamine Building Blocks
MP 187...189 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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