UCSF

ZINC13822353

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 8 No

Popular Name: bromomethyl-(2-hydroxyethyl)-dimethyl-ammonium bromomethyl-(2-hydroxyethyl)-dim…

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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) -3.54 2.89 -29.92 1 2 1 20 183.069 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-7-O Rattus Norvegicus (cluster #7 Of 12), Other Other 870 1.06 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 870 1.06 Functional ≤ 10μM

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

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