UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37050805
37050805
37145249
37145249

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Popular Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,4,6-trimethylphenoxy)acetamidechloride N-(3-morpholin-4-ium-4-ylpropyl)…

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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) 2.45 5.56 -13.45 1 5 0 51 320.433 7 ↓

Analogs

37145237
37145237

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Popular Name: 2-(2-bromo-4-fluoro-phenoxy)-N-(3-morpholinopropyl)acetamide 2-(2-bromo-4-fluoro-phenoxy)-N-(…

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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) 2.15 4.16 -16.92 1 5 0 51 375.238 7 ↓
Mid Mid (pH 6-8) 2.15 6.49 -55.72 2 5 1 52 376.246 7 ↓

Analogs

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Popular Name: 2-(4-acetyl-2-methoxy-phenoxy)-N-(3-morpholinopropyl)acetamide 2-(4-acetyl-2-methoxy-phenoxy)-N…

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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) 0.74 3.68 -22.47 1 7 0 77 350.415 9 ↓
Mid Mid (pH 6-8) 0.74 5.97 -60.06 2 7 1 78 351.423 9 ↓

Analogs

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Popular Name: 2-(2-methoxy-4-methyl-phenoxy)-N-(3-morpholinopropyl)acetamide 2-(2-methoxy-4-methyl-phenoxy)-N…

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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) 1.28 3.86 -16.64 1 6 0 60 322.405 8 ↓
Mid Mid (pH 6-8) 1.28 6.13 -52.53 2 6 1 61 323.413 8 ↓

Analogs

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Popular Name: 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)-N-(3-morpholinopropyl)acetamide 2-(4-chloro-2-isopropyl-5-methyl…

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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) 3.27 6.59 -14.34 1 5 0 51 368.905 8 ↓
Mid Mid (pH 6-8) 3.27 8.92 -52.7 2 5 1 52 369.913 8 ↓

Analogs

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Popular Name: N-(3-morpholinopropyl)-2-(2-nitrophenoxy)acetamide N-(3-morpholinopropyl)-2-(2-nitr…

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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) 1.16 4.61 -26.78 1 8 0 97 323.349 8 ↓
Mid Mid (pH 6-8) 1.16 6.95 -64.46 2 8 1 98 324.357 8 ↓

Analogs

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Popular Name: 2-(4-chloro-3-methyl-phenoxy)-N-(3-morpholinopropyl)acetamide 2-(4-chloro-3-methyl-phenoxy)-N-…

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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) 2.30 4.54 -12.85 1 5 0 51 326.824 7 ↓
Mid Mid (pH 6-8) 2.30 6.81 -50.02 2 5 1 52 327.832 7 ↓

Analogs

37145119
37145119

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Popular Name: Acetamide, N-(3-(4-morpholinyl)propyl)-2-(2,4,5-trichlorophenoxy)-, monohydrochloride; LS-10036; N-(3-(4-Morpholinyl)propyl)-2-(2,4,5-trichlorophenoxy)acetamide hydrochloride Acetamide, N-(3-(4-morpholinyl)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) 3.14 4.96 -14.65 1 5 0 51 381.687 7 ↓

Analogs

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Popular Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-(3-morpholinopropyl)acetamide 2-(4-cyano-2-ethoxy-phenoxy)-N-(…

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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) 0.97 4.55 -20.59 1 7 0 84 347.415 9 ↓
Mid Mid (pH 6-8) 0.97 6.88 -59.24 2 7 1 85 348.423 9 ↓

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-[(1S)-1-methyl-3-morpholino-propyl]acetamide 2-(4-chlorophenoxy)-N-[(1S)-1-me…

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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) 2.25 4.94 -12.65 1 5 0 51 326.824 7 ↓
Mid Mid (pH 6-8) 2.25 7.22 -51.73 2 5 1 52 327.832 7 ↓

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-[(1R)-1-methyl-3-morpholino-propyl]acetamide 2-(4-chlorophenoxy)-N-[(1R)-1-me…

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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) 2.25 4.94 -12.18 1 5 0 51 326.824 7 ↓
Mid Mid (pH 6-8) 2.25 7.22 -51.17 2 5 1 52 327.832 7 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenoxy)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide 2-(2,4-dichlorophenoxy)-N-[3-[(2…

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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) 3.26 5.98 -14.69 1 5 0 51 375.296 7 ↓
Mid Mid (pH 6-8) 3.26 8.26 -52.7 2 5 1 52 376.304 7 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]acetamide 2-(2,4-dichlorophenoxy)-N-[3-[(2…

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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) 3.26 6.27 -14.42 1 5 0 51 375.296 7 ↓
Mid Mid (pH 6-8) 3.26 8.2 -51.92 2 5 1 52 376.304 7 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenoxy)-N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide 2-(2,4-dichlorophenoxy)-N-[3-[(2…

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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) 3.26 6.26 -14.46 1 5 0 51 375.296 7 ↓
Mid Mid (pH 6-8) 3.26 8.22 -52.01 2 5 1 52 376.304 7 ↓

Parameters Provided:

ring.id = 24180
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 = 24180 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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