UCSF

ZINC35274073

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 23 No

Popular Name: (Z)-N-[(4-fluorophenyl)methyl]-2-(hydroxycarbamoyl)-3-phenyl-prop-2-enamide (Z)-N-[(4-fluorophenyl)methyl]-2…

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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) 2.06 4.64 -13.06 3 5 0 78 314.316 5 ↓
Hi High (pH 8-9.5) 2.06 5.85 -52.55 2 5 -1 81 313.308 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMP1-1-E Zinc Aminopeptidase (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.50 Binding ≤ 10μM
AMPN-2-E Aminopeptidase N (cluster #2 Of 5), Eukaryotic Eukaryotes 1372 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMP1_PLAFQ O96935 Zinc Aminopeptidase, Plafq 6 0.50 Binding ≤ 1μM
AMPN_PIG P15145 Aminopeptidase N, Pig 1372 0.36 Binding ≤ 10μM
AMP1_PLAFQ O96935 Zinc Aminopeptidase, Plafq 6 0.50 Binding ≤ 10μM

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

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