UCSF

ZINC36159045

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 No

Popular Name: 2-azido-N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide 2-azido-N-[4-chloro-3-(5-chloro-…

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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) 5.16 1.98 -19.13 1 7 0 105 362.176 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLCB-1-E 1-acylglycerol-3-phosphate O-acyltransferase Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 170 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLCB_HUMAN O15120 1-acylglycerol-3-phosphate O-acyltransferase Beta, Human 170 0.39 Binding ≤ 1μM
PLCB_HUMAN O15120 1-acylglycerol-3-phosphate O-acyltransferase Beta, Human 170 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis of PA
Triglyceride Biosynthesis

Rings

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

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