UCSF

ZINC03953849

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 21 Yes

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) 2.71 5.79 -41.27 3 4 1 51 286.399 5
Mid Mid (pH 6-8) 2.71 6.28 -86.46 4 4 2 52 287.407 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PHLP2-1-E PH Domain Leucine-rich Repeat-containing Protein Phosphatase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 4000 0.36 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 4000 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Negative regulation of the PI3K/AKT network

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