UCSF

ZINC49427013

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 Yes

Popular Name: 4-[[5-(4-chlorophenyl)oxazol-2-yl]amino]phenol 4-[[5-(4-chlorophenyl)oxazol-2-y…

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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) 4.46 4.49 -7.69 2 4 0 58 286.718 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 330 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TERA_HUMAN P55072 Transitional Endoplasmic Reticulum ATPase, Human 330 0.45 Binding ≤ 1μM
TERA_HUMAN P55072 Transitional Endoplasmic Reticulum ATPase, Human 330 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hedgehog ligand biogenesis
Hh ligand biogenesis disease
HSF1 activation

Rings

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

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