UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2796735
2796735
6810141
6810141
6810169
6810169
6810170
6810170
6810171
6810171

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Popular Name: (2-chlorophenoxy)methyl-phenyl-BLAH (2-chlorophenoxy)methyl-phenyl-BLAH

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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) 3.38 1.25 -13.79 0 7 0 70 376.807 4 ↓

Analogs

6810141
6810141
6810169
6810169
6810170
6810170
6810171
6810171
6810179
6810179

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Popular Name: (4-chloro-3,5-dimethyl-phenoxy)methyl-phenyl-BLAH (4-chloro-3,5-dimethyl-phenoxy)m…

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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) 4.18 1.82 -12 0 7 0 70 404.861 4 ↓

Analogs

5101004
5101004
5156731
5156731
6810141
6810141
6810142
6810142
6810143
6810143

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Popular Name: (4-nitrophenoxy)methyl-phenyl-BLAH (4-nitrophenoxy)methyl-phenyl-BLAH

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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) 2.71 1.86 -15.58 0 10 0 115 387.359 5 ↓

Analogs

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Popular Name: (3,4-dichlorophenoxy)methyl-phenyl-BLAH (3,4-dichlorophenoxy)methyl-phen…

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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) 4.04 1.06 -12.74 0 7 0 70 411.252 4 ↓

Analogs

2803942
2803942
2796735
2796735
2401289
2401289
2401428
2401428

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Popular Name: (2,4-difluorophenoxy)methyl-phenyl-BLAH (2,4-difluorophenoxy)methyl-phen…

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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) 3.01 2.82 -14.44 0 7 0 70 378.342 4 ↓

Analogs

2797557
2797557

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Popular Name: (4-fluorophenoxy)methyl-phenyl-BLAH (4-fluorophenoxy)methyl-phenyl-BLAH

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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) 2.91 2.08 -12.31 0 7 0 70 360.352 4 ↓

Parameters Provided:

ring.id = 236843
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 236843 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=236843&filter.purchasability=annotated

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