UCSF

ZINC01891911

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 27 Yes

Popular Name: 1,3-dichloro-2-[4-[(2-chloro-4-methoxy-phenoxy)methyl]benzyl]oxy-benzene 1,3-dichloro-2-[4-[(2-chloro-4-m…

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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) 7.16 1.38 -8.98 0 3 0 27 423.723 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101843-2-O Human Coxsackievirus B2 (cluster #2 Of 3), Other Other 3790 0.28 Functional ≤ 10μM
Z101846-1-O Human Echovirus 6 (cluster #1 Of 2), Other Other 9 0.42 Functional ≤ 10μM
Z101847-1-O Human Enterovirus 68 (cluster #1 Of 1), Other Other 3470 0.28 Functional ≤ 10μM
Z103013-1-O Human Coxsackievirus A9 (cluster #1 Of 2), Other Other 3790 0.28 Functional ≤ 10μM
Z50615-1-O Human Echovirus 9 (cluster #1 Of 2), Other Other 9 0.42 Functional ≤ 10μM
Z50617-2-O Human Coxsackievirus B3 (cluster #2 Of 2), Other Other 3790 0.28 Functional ≤ 10μM
Z50618-1-O Human Coxsackievirus B5 (cluster #1 Of 2), Other Other 3790 0.28 Functional ≤ 10μM
Z50667-1-O Human Coxsackievirus B1 (cluster #1 Of 2), Other Other 3790 0.28 Functional ≤ 10μM
Z50668-1-O Human Coxsackievirus B4 (cluster #1 Of 2), Other Other 3790 0.28 Functional ≤ 10μM
Z50669-1-O Human Echovirus 11 (cluster #1 Of 1), Other Other 9 0.42 Functional ≤ 10μM
Z50731-1-O Echovirus (cluster #1 Of 1), Other Other 9 0.42 Functional ≤ 10μM
Z50746-1-O Human Enterovirus 71 (cluster #1 Of 2), Other Other 3470 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50731 Z50731 Echovirus 860 0.31 Functional ≤ 10μM
Z103013 Z103013 Human Coxsackievirus A9 3790 0.28 Functional ≤ 10μM
Z50667 Z50667 Human Coxsackievirus B1 3790 0.28 Functional ≤ 10μM
Z101843 Z101843 Human Coxsackievirus B2 3790 0.28 Functional ≤ 10μM
Z50617 Z50617 Human Coxsackievirus B3 3790 0.28 Functional ≤ 10μM
Z50668 Z50668 Human Coxsackievirus B4 3790 0.28 Functional ≤ 10μM
Z50618 Z50618 Human Coxsackievirus B5 3790 0.28 Functional ≤ 10μM
Z50669 Z50669 Human Echovirus 11 860 0.31 Functional ≤ 10μM
Z101846 Z101846 Human Echovirus 6 860 0.31 Functional ≤ 10μM
Z50615 Z50615 Human Echovirus 9 860 0.31 Functional ≤ 10μM
Z101847 Z101847 Human Enterovirus 68 3470 0.28 Functional ≤ 10μM
Z50746 Z50746 Human Enterovirus 71 3470 0.28 Functional ≤ 10μM

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

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