UCSF

ZINC00292018

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 4-(4-Methylphenoxy)aniline 4-(4-Methylphenoxy)aniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1052529-34-6 , 41295-20-9 , [41295-20-9]

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) 3.22 5.88 -5.1 2 2 0 35 199.253 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 118 - 122 Enamine Building Blocks
MP 119 - 121 Enamine Building Blocks
MP 119...121 Enamine Building Blocks
MP 122 TCI
MP 122 - 124 Enamine Building Blocks
MP 122...124 Enamine Building Blocks
MP 122° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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