UCSF

ZINC28636361

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 19 No

Popular Name: 2-chloro-4-[(E)-[(4-methoxyphenyl)hydrazono]methyl]phenol 2-chloro-4-[(E)-[(4-methoxypheny…

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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) 5.21 4.89 -8.3 2 4 0 54 276.723 4 ↓
Hi High (pH 8-9.5) 5.21 5.53 -43.21 1 4 -1 57 275.715 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MIF-2-E Macrophage Migration Inhibitory Factor (cluster #2 Of 3), Eukaryotic Eukaryotes 220 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MIF_HUMAN P14174 Macrophage Migration Inhibitory Factor, Human 220 0.49 Binding ≤ 1μM
MIF_HUMAN P14174 Macrophage Migration Inhibitory Factor, Human 220 0.49 Binding ≤ 10μM

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

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