UCSF

ZINC22051488

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 15 Yes

Popular Name: Methyl 2-(benzylamino)-3-hydroxypropanoate Methyl 2-(benzylamino)-3-hydroxy…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 123639-56-5 , 144001-42-3 , 17136-44-6 , [123639-56-5] , [144001-42-3]

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) 0.71 1.36 -9.72 2 4 0 59 209.245 6 ↓
Mid Mid (pH 6-8) 0.71 2.8 -41.08 3 4 1 63 210.253 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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