UCSF

ZINC40872361

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 27 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) 2.55 9.46 -17.97 1 6 0 82 374.433 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 156 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_MOUSE P20444 Protein Kinase C Alpha, Mouse 155.7 0.35 Binding ≤ 1μM
KPCA_MOUSE P20444 Protein Kinase C Alpha, Mouse 155.7 0.35 Binding ≤ 10μM

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