UCSF

ZINC04523158

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 29 No

Popular Name: 5-[4-(2,4-diamino-5-methyl-phenyl)azophenyl]azo-2-hydroxy-benzoic 5-[4-(2,4-diamino-5-methyl-pheny…

Find On: PubMed — Wikipedia — Google

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) 5.50 -3.58 -59.46 5 9 -1 161 389.395 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PHLP2-2-E PH Domain Leucine-rich Repeat-containing Protein Phosphatase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 3750 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PHLP2_HUMAN Q6ZVD8 PH Domain Leucine-rich Repeat-containing Protein Phosphatase 2, Human 3750 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Negative regulation of the PI3K/AKT network

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

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