UCSF

ZINC60184752

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 47 No

Popular Name: capreomycin sulfate capreomycin sulfate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1405-37-4, 11003-38-6 [ca , 1405-37-4, 11003-38-6 [capreomycin]

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

Vendor Notes

Note Type Comments Provided By
Therapy antibacterial (tuberculostatic) SMDC MicroSource
therap antibacterial, tuberculostatic MicroSource Spectrum

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50380-2-O Mycobacterium Smegmatis (cluster #2 Of 4), Other Other 2120 0.17 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50380 Z50380 Mycobacterium Smegmatis 1780 0.17 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.