UCSF

ZINC64490638

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2011 17 No

Popular Name: 1-methyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]hydrazine 1-methyl-1-[2-(3,4,5-trimethoxyp…

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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) 1.16 2.71 -8.06 2 5 0 57 240.303 6 ↓
Mid Mid (pH 6-8) 1.16 4.26 -46.75 3 5 1 58 241.311 6 ↓
Mid Mid (pH 6-8) 1.16 2.52 -51.57 3 5 1 59 241.311 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOC3-1-E Amine Oxidase, Copper Containing (cluster #1 Of 2), Eukaryotic Eukaryotes 324 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOC3_HUMAN Q16853 Amine Oxidase, Copper Containing, Human 323.593657 0.53 Binding ≤ 1μM
AOC3_HUMAN Q16853 Amine Oxidase, Copper Containing, Human 323.593657 0.53 Binding ≤ 10μM

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

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