UCSF

ZINC04521479

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 28 No

Popular Name: Eriochrome blue black b Eriochrome blue black b

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3564-14-5 , [3564-14-5]

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) 2.83 -8.04 -52.86 2 7 -1 122 393.4 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000035446A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TPOR-1-E Thrombopoietin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 70 0.36 Binding ≤ 10μM
AMPC-6-B Beta-lactamase (cluster #6 Of 6), Bacterial Bacteria 10000 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 70 0.36 Binding ≤ 1μM
AMPC_ECOLI P00811 Beta-lactamase, Ecoli 10000 0.25 Binding ≤ 10μM
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 70 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Platelet Aggregation (Plug Formation)

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