UCSF

ZINC04725342

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 26 No

Popular Name: N-(3-chlorophenyl)-N-(3-dimethylamino-1,4-dioxo-2-naphthyl)-acetamide N-(3-chlorophenyl)-N-(3-dimethyl…

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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) 3.44 3.13 -10.52 0 5 0 57 368.82 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 72 0.38 Functional ≤ 10μM
Z81020-1-O HepG2 (Hepatoblastoma Cells) (cluster #1 Of 1), Other Other 5100 0.28 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 72 0.38 Functional ≤ 10μM
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 5100 0.28 ADME/T ≤ 10μM

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

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