UCSF

ZINC03073566

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 20 No

Popular Name: N-(2-hydrazino-2-keto-ethyl)-3,5-dinitro-benzamide N-(2-hydrazino-2-keto-ethyl)-3,5…

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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) -1.37 1.24 -12.48 4 11 0 176 283.2 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
METC-1-B Cystathionine Beta-lyase MetC (cluster #1 Of 3), Bacterial Bacteria 5900 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
METC_ECOLI P06721 Cystathionine Beta-lyase MetC, Ecoli 5900 0.37 Binding ≤ 10μM

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

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