UCSF

ZINC01607791

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 30 Yes

Popular Name: Ferene disodium salt Ferene disodium salt

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CAS Numbers: 79551-14-7 , [79551-14-7]

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) -3.14 -0.15 -122.23 0 12 -2 192 448.394 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 10000 0.23 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 10000 0.23 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.