UCSF

ZINC20246913

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 Yes

Popular Name: methyl 2-amino-2-(4-bromophenyl)acetate hydrochloride methyl 2-amino-2-(4-bromophenyl)…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 42718-15-0 , 42718-20-7 , [42718-20-7]

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) 0.10 3.6 -5.9 2 3 0 52 244.088 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 199 - 201 Enamine Building Blocks
MP 199...201 Enamine Building Blocks
melting_point 2.050000000000000e+002 - 2.080000000000000e+002 KeyOrganics
melting_point 205 - 208 KeyOrganics
MP 205-208° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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