UCSF

ZINC03873418

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 20 Yes

Popular Name: DRB DRB

Find On: PubMed — Wikipedia — Google

CAS Numbers: 53-85-0 , [53-85-0]

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) 1.60 -1.21 -10.86 3 6 0 88 319.144 2 ↓
Lo Low (pH 4.5-6) 1.60 -0.73 -37.42 4 6 1 89 320.152 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.59e+00 g/l DrugBank-experimental

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CSK21-1-E Casein Kinase II Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 4500 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSK21_HUMAN P68400 Casein Kinase II Alpha, Human 4500 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Condensation of Prometaphase Chromosomes
Signal transduction by L1
WNT mediated activation of DVL

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