UCSF

ZINC03953934

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 13 No

Popular Name: 1-amino-2-phenylethylphosphonic acid; 6324-00-1; nsc30080 1-amino-2-phenylethylphosphonic …

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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) 0.24 1.46 -75.08 3 4 -1 91 200.154 3 ↓
Mid Mid (pH 6-8) 0.24 0.34 -34.31 4 4 0 88 201.162 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 420 0.69 Binding ≤ 10μM
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 420 0.69 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPL_HUMAN P28838 Leucine Aminopeptidase, Human 420 0.69 Binding ≤ 1μM
AMPL_HUMAN P28838 Leucine Aminopeptidase, Human 420 0.69 Binding ≤ 10μM

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