UCSF

ZINC65336841

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 11 Yes

Popular Name: 3-Bromo-4-methoxy-5-methylaniline 3-Bromo-4-methoxy-5-methylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1215205-12-1 , [1215205-12-1]

Other Names:

AN-1568

MFCD16618926

N/A

NA

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) 2.18 3.09 -4.32 2 2 0 35 216.078 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.