UCSF

ZINC01455730

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 16 No

Popular Name: 2-(2-chloro-4,5-dimethoxy-phenyl)ethanehydroxamic-acid 2-(2-chloro-4,5-dimethoxy-phenyl…

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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 1.82 -16.65 2 5 0 68 245.662 4 ↓
Hi High (pH 8-9.5) 1.16 3.04 -55.01 1 5 -1 71 244.654 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DEF-1-B Peptide Deformylase (cluster #1 Of 1), Bacterial Bacteria 200 0.59 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DEF_STAAM P68825 Peptide Deformylase, Staam 200 0.59 Binding ≤ 1μM
DEF_STAAM P68825 Peptide Deformylase, Staam 200 0.59 Binding ≤ 10μM

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

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