UCSF

ZINC19172199

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2008 13 No

Popular Name: (1S)-2-hydrazino-1-(3-methoxyphenyl)ethanol (1S)-2-hydrazino-1-(3-methoxyphe…

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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) -0.50 -0.44 -46.72 5 4 1 72 183.231 4 ↓
Mid Mid (pH 6-8) -0.50 -1.2 -48.96 5 4 1 69 183.231 4 ↓
Mid Mid (pH 6-8) -0.50 -1.17 -7.01 4 4 0 68 182.223 4 ↓

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 52 0.78 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOC3_HUMAN Q16853 Amine Oxidase, Copper Containing, Human 52.480746 0.78 Binding ≤ 1μM
AOC3_HUMAN Q16853 Amine Oxidase, Copper Containing, Human 52.480746 0.78 Binding ≤ 10μM

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

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