UCSF

ZINC28472314

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 25 No

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) 3.13 3.37 -23.03 4 5 0 81 327.343 0

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLI1-1-E Zinc Finger Protein GLI1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1800 0.32 Binding ≤ 10μM
GLI2-1-E Zinc Finger Protein GLI2 (cluster #1 Of 2), Eukaryotic Eukaryotes 2700 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLI1_HUMAN P08151 Zinc Finger Protein GLI1, Human 1800 0.32 Binding ≤ 10μM
GLI2_HUMAN P10070 Zinc Finger Protein GLI2, Human 2700 0.31 Binding ≤ 10μM

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