UCSF

ZINC12495394

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 24 No

Popular Name: benzamide, 2,4-dichloro-N-[[(2-hydroxy-5-nitrophenyl)amino]thioxomethyl]- benzamide, 2,4-dichloro-N-[[(2-h…

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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) 3.33 6.55 -25.73 3 7 0 107 386.216 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P90584-1-E Protein Kinase Pfmrk (cluster #1 Of 2), Eukaryotic Eukaryotes 10000 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P90584_PLAFA P90584 Protein Kinase Pfmrk, Plafa 10000 0.29 Binding ≤ 10μM

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

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