UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2-ethoxyphenoxy)ethanone 1-(8-chloro-1,3,4,5-tetrahydropy…

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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) 3.82 10.67 -21.68 1 5 0 55 384.863 5 ↓

Analogs

11975889
11975889

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Popular Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-1-BLAHyl-ethanone 2-(4-chloro-2,6-dimethyl-phenoxy…

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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) 4.61 0.3 -14.64 1 4 0 45 368.864 3 ↓

Analogs

22601383
22601383

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Popular Name: 2-(2,3-dimethylphenoxy)-1-BLAHyl-ethanone 2-(2,3-dimethylphenoxy)-1-BLAHyl…

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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) 3.98 0.23 -17.1 1 4 0 45 334.419 3 ↓

Analogs

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Popular Name: 2-(2,4-dibromophenoxy)-1-BLAHyl-ethanone 2-(2,4-dibromophenoxy)-1-BLAHyl-…

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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) 4.72 -1.84 -19.06 1 4 0 45 464.157 3 ↓

Analogs

11974349
11974349

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Popular Name: 2-(4-chloro-2-methyl-phenoxy)-1-BLAHyl-ethanone 2-(4-chloro-2-methyl-phenoxy)-1-…

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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) 4.23 -0.14 -16.76 1 4 0 45 354.837 3 ↓

Analogs

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Popular Name: 2-(2-methylphenoxy)-1-BLAHyl-ethanone 2-(2-methylphenoxy)-1-BLAHyl-eth…

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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) 3.57 0.01 -17.02 1 4 0 45 320.392 3 ↓

Analogs

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Popular Name: 4-(BLAHylcarbonylmethoxy)benzonitrile 4-(BLAHylcarbonylmethoxy)benzoni…

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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) 2.93 1.01 -20.42 1 5 0 69 331.375 3 ↓

Analogs

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Popular Name: 2-(4-chloro-3-methyl-phenoxy)-1-BLAHyl-ethanone 2-(4-chloro-3-methyl-phenoxy)-1-…

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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) 4.23 -0.23 -17.13 1 4 0 45 354.837 3 ↓

Analogs

12805389
12805389
9900219
9900219
9902108
9902108

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Popular Name: 2-(4-tert-butylphenoxy)-1-BLAHyl-ethanone 2-(4-tert-butylphenoxy)-1-BLAHyl…

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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) 4.88 0.77 -16.84 1 4 0 45 362.473 4 ↓

Parameters Provided:

ring.id = 41807
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 = 41807 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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