UCSF

ZINC00569967

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Popular Name: N-(4-Aminophenyl)-3-methylbutanamide N-(4-Aminophenyl)-3-methylbutana…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 189576-50-9 , , 189576-50-9 , [189576-50-9]

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) 1.85 3.43 -8.33 3 3 0 55 192.262 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 104 - 106 Enamine Building Blocks
MP 104...106 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4866164 IBM Patent Data

Activity (Go SEA)

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