UCSF

ZINC03898290

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 21 No

Popular Name: 5-bromo-N-(4-methoxy-2-nitro-phenyl)-pyridine-3-carboxamide 5-bromo-N-(4-methoxy-2-nitro-phe…

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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) 2.49 -0.19 -7.69 1 7 0 97 352.144 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80608-1-O ZR-75-1 (Breast Carcinoma Cells) (cluster #1 Of 4), Other Other 5400 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80608 Z80608 ZR-75-1 (Breast Carcinoma Cells) 5400 0.35 Functional ≤ 10μM

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

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