UCSF

ZINC13862891

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2008 18 Yes

Popular Name: [(2S)-3-hydroxy-2-(3-methylbutanoyloxy)propyl] [(2S)-3-hydroxy-2-(3-methylbutan…

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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) 2.08 6.76 -8.38 1 5 0 73 260.33 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-2-E Protein Kinase C Alpha (cluster #2 Of 6), Eukaryotic Eukaryotes 1409 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_BOVIN P04409 Protein Kinase C Alpha, Bovin 1409 0.46 Binding ≤ 10μM

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