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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-2-[[4-(3-chlorophenyl)phenyl]methyl]-5-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-meth (3R)-2-[[4-(3-chlorophenyl)pheny…

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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) 4.31 11.3 -28.06 0 9 0 98 580.11 8 ↓

Analogs

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Popular Name: (3S)-2-[[4-(3-chlorophenyl)phenyl]methyl]-5-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-meth (3S)-2-[[4-(3-chlorophenyl)pheny…

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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) 4.31 11.28 -23.99 0 9 0 98 580.11 8 ↓

Analogs

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Popular Name: (3R)-5-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-2-[[4-(2,6-dimethylphenyl)phenyl]methyl]-3-isobuty (3R)-5-[[1-(cyclohexylmethyl)tri…

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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) 6.41 14.64 -24.45 0 8 0 88 591.822 9 ↓

Analogs

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Popular Name: (3S)-5-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-2-[[4-(2,6-dimethylphenyl)phenyl]methyl]-3-isobuty (3S)-5-[[1-(cyclohexylmethyl)tri…

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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) 6.41 14.89 -21.26 0 8 0 88 591.822 9 ↓

Analogs

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Popular Name: (3R)-2-[[4-(2,6-dimethylphenyl)phenyl]methyl]-5-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-3-isobutyl- (3R)-2-[[4-(2,6-dimethylphenyl)p…

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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) 3.49 8.01 -25.16 1 9 0 109 539.702 9 ↓

Analogs

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Popular Name: (3S)-2-[[4-(2,6-dimethylphenyl)phenyl]methyl]-5-[[1-(2-hydroxyethyl)triazol-4-yl]methyl]-3-isobutyl- (3S)-2-[[4-(2,6-dimethylphenyl)p…

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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) 3.49 8.26 -22.01 1 9 0 109 539.702 9 ↓

Analogs

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Popular Name: 3-[4-[[(3R)-5-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-3-isobutyl-1,1,4-trioxo-1,2,5-thiadiazepan- 3-[4-[[(3R)-5-[[1-(cyclohexylmet…

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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) 5.34 14.3 -26.91 0 9 0 112 588.778 9 ↓

Analogs

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Popular Name: 3-[4-[[(3S)-5-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-3-isobutyl-1,1,4-trioxo-1,2,5-thiadiazepan- 3-[4-[[(3S)-5-[[1-(cyclohexylmet…

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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) 5.34 13.81 -22.19 0 9 0 112 588.778 9 ↓

Parameters Provided:

ring.id = 471581
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 = 471581 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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