UCSF

ZINC19787684

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 13 Yes

Popular Name: (4-Bromo-benzylamino)-acetic acid (4-Bromo-benzylamino)-acetic acid

Find On: PubMed — Wikipedia — Google

CAS Number: 1727-09-9

Other Names:

MFCD11101930

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) 0.64 5.06 -43.09 2 3 0 57 244.088 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0551697A1; EP0551697B1 IBM Patent Data

Activity (Go SEA)

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