UCSF

ZINC00403009

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 10 No

Popular Name: 2-amino-4-methyl-pentanehydroxamic 2-amino-4-methyl-pentanehydroxamic

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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) -0.38 -1.37 -48.11 5 4 1 77 147.198 3 ↓
Hi High (pH 8-9.5) -0.38 -0.15 -58.15 4 4 0 80 146.19 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPX-1-B Bacterial Leucyl Aminopeptidase Precursor (cluster #1 Of 1), Bacterial Bacteria 2 1.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPX_VIBPR Q01693 Bacterial Leucyl Aminopeptidase Precursor, Vibpr 2 1.22 Binding ≤ 1μM
AMPX_VIBPR Q01693 Bacterial Leucyl Aminopeptidase Precursor, Vibpr 2 1.22 Binding ≤ 10μM

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

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