UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[4-(3-bromophenoxy)butyl]morpholine 4-[4-(3-bromophenoxy)butyl]morph…

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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) 3.20 5.46 -4.47 0 3 0 22 314.223 6 ↓

Analogs

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Popular Name: 4-[4-(2-bromo-4-methyl-phenoxy)butyl]morpholine 4-[4-(2-bromo-4-methyl-phenoxy)b…

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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) 3.60 6.17 -5.62 0 3 0 22 328.25 6 ↓

Analogs

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Popular Name: 4-[4-(2-allyl-4-methoxy-phenoxy)butyl]morpholine 4-[4-(2-allyl-4-methoxy-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) 3.22 6.2 -5.97 0 4 0 31 305.418 9 ↓

Analogs

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Popular Name: 4-[4-(2-bromo-4-chloro-phenoxy)butyl]morpholine 4-[4-(2-bromo-4-chloro-phenoxy)b…

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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) 3.83 6.02 -5.16 0 3 0 22 348.668 6 ↓

Analogs

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Popular Name: 4-[4-[4-(1,1-dimethylpropyl)phenoxy]butyl]morpholine 4-[4-[4-(1,1-dimethylpropyl)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) 4.44 7.69 -4.38 0 3 0 22 305.462 8 ↓

Analogs

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Popular Name: 4-[4-(3-ethoxyphenoxy)butyl]morpholine 4-[4-(3-ethoxyphenoxy)butyl]morp…

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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) 2.82 5.02 -6.64 0 4 0 31 279.38 8 ↓

Analogs

70516695
70516695
70516696
70516696

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Popular Name: 4-[4-(5-isopropyl-2-methyl-phenoxy)butyl]morpholine 4-[4-(5-isopropyl-2-methyl-pheno…

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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) 4.30 7.5 -4.63 0 3 0 22 291.435 7 ↓

Analogs

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Popular Name: 4-[4-(2-sec-butylphenoxy)butyl]morpholine 4-[4-(2-sec-butylphenoxy)butyl]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) 3.75 7.54 -4.62 0 3 0 22 291.435 8 ↓

Analogs

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Popular Name: 4-[4-(2-sec-butylphenoxy)butyl]morpholine 4-[4-(2-sec-butylphenoxy)butyl]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) 3.75 7.54 -4.64 0 3 0 22 291.435 8 ↓

Analogs

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Popular Name: 4-[4-(4-bromo-2-methyl-phenoxy)butyl]morpholine 4-[4-(4-bromo-2-methyl-phenoxy)b…

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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) 3.60 6.17 -4.39 0 3 0 22 328.25 6 ↓

Analogs

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Popular Name: 4-[4-(2-allylphenoxy)butyl]morpholine 4-[4-(2-allylphenoxy)butyl]morph…

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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) 3.19 6.91 -4.75 0 3 0 22 275.392 8 ↓

Analogs

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Popular Name: 4-[4-(2-allyl-4-methyl-phenoxy)butyl]morpholine 4-[4-(2-allyl-4-methyl-phenoxy)b…

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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) 3.61 7.57 -4.79 0 3 0 22 289.419 8 ↓

Analogs

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Popular Name: 4-[4-(4-tert-butyl-2-methyl-phenoxy)butyl]morpholine 4-[4-(4-tert-butyl-2-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) 4.49 7.9 -4.47 0 3 0 22 305.462 7 ↓

Analogs

16247629
16247629

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Popular Name: (2S,6S)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethyl-morpholine (2S,6S)-4-[4-(2-methoxyphenoxy)b…

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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) 2.75 6.53 -7.36 0 4 0 31 293.407 7 ↓

Analogs

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Popular Name: (2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethyl-morpholine (2R,6R)-4-[4-(2-methoxyphenoxy)b…

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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) 2.75 6.52 -7.33 0 4 0 31 293.407 7 ↓

Analogs

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Popular Name: (2R,6R)-4-[4-(2,4-dimethylphenoxy)butyl]-2,6-dimethyl-morpholine (2R,6R)-4-[4-(2,4-dimethylphenox…

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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) 3.96 8 -4.62 0 3 0 22 291.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-4-[4-(2,4-dimethylphenoxy)butyl]-2,6-dimethyl-morpholine (2S,6S)-4-[4-(2,4-dimethylphenox…

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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) 3.96 8.01 -4.66 0 3 0 22 291.435 6 ↓

Parameters Provided:

ring.id = 22319
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 = 22319 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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