UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44722212
44722212
44722215
44722215
44722980
44722980
44722983
44722983

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Popular Name: N-(2-chlorophenyl)-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]acetamide N-(2-chlorophenyl)-2-[methyl(3-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) 2.85 9.47 -104.42 3 4 2 38 311.857 7 ↓
Mid Mid (pH 6-8) 2.85 7.2 -37.8 2 4 1 37 310.849 7 ↓

Analogs

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Popular Name: N-(4-bromophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(4-bromophenyl)-2-(3-pyrrolidi…

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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) 2.43 6.22 -39.34 3 4 1 46 341.273 7 ↓
Mid Mid (pH 6-8) 2.43 7.55 -112.68 4 4 2 50 342.281 7 ↓

Analogs

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Popular Name: N-(o-tolyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(o-tolyl)-2-(3-pyrrolidin-1-yl…

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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) 2.02 6.49 -38.96 3 4 1 46 276.404 7 ↓
Mid Mid (pH 6-8) 2.02 7.83 -110.16 4 4 2 50 277.412 7 ↓

Analogs

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Popular Name: N-phenyl-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-phenyl-2-(3-pyrrolidin-1-ylpro…

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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) 1.62 5.59 -38.86 3 4 1 46 262.377 7 ↓
Mid Mid (pH 6-8) 1.62 6.93 -109.37 4 4 2 50 263.385 7 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(4-fluorophenyl)-2-(3-pyrrolid…

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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) 1.78 5.66 -40.04 3 4 1 46 280.367 7 ↓
Mid Mid (pH 6-8) 1.78 6.99 -113.46 4 4 2 50 281.375 7 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(3-chlorophenyl)-2-(3-pyrrolid…

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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) 2.27 6.11 -38.52 3 4 1 46 296.822 7 ↓
Mid Mid (pH 6-8) 2.27 7.45 -111.59 4 4 2 50 297.83 7 ↓

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(3-methoxyphenyl)-2-(3-pyrroli…

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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) 1.65 4.89 -39.63 3 5 1 55 292.403 8 ↓
Mid Mid (pH 6-8) 1.65 6.23 -110.97 4 5 2 59 293.411 8 ↓

Analogs

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Popular Name: N-(m-tolyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(m-tolyl)-2-(3-pyrrolidin-1-yl…

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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) 2.05 6.27 -38.84 3 4 1 46 276.404 7 ↓
Mid Mid (pH 6-8) 2.05 7.6 -109.5 4 4 2 50 277.412 7 ↓

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(5-chloro-2-methyl-phenyl)-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) 2.68 7.01 -40.06 3 4 1 46 310.849 7 ↓
Mid Mid (pH 6-8) 2.68 8.35 -112.01 4 4 2 50 311.857 7 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(2-chlorophenyl)-2-(3-pyrrolid…

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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 6.21 -37.11 3 4 1 46 296.822 7 ↓
Mid Mid (pH 6-8) 2.25 7.55 -108.2 4 4 2 50 297.83 7 ↓

Analogs

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Popular Name: N-(3-bromophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(3-bromophenyl)-2-(3-pyrrolidi…

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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) 2.41 6.22 -38.44 3 4 1 46 341.273 7 ↓
Mid Mid (pH 6-8) 2.41 7.55 -111.53 4 4 2 50 342.281 7 ↓

Analogs

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Popular Name: N-(p-tolyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(p-tolyl)-2-(3-pyrrolidin-1-yl…

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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) 2.07 6.27 -38.84 3 4 1 46 276.404 7 ↓
Mid Mid (pH 6-8) 2.07 7.6 -109.44 4 4 2 50 277.412 7 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(4-methoxyphenyl)-2-(3-pyrroli…

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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) 1.68 4.88 -40.19 3 5 1 55 292.403 8 ↓
Mid Mid (pH 6-8) 1.68 6.22 -112.02 4 5 2 59 293.411 8 ↓

Analogs

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Popular Name: N-(2,6-difluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(2,6-difluorophenyl)-2-(3-pyrr…

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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) 1.85 5.83 -39.87 3 4 1 46 298.357 7 ↓
Mid Mid (pH 6-8) 1.85 7.17 -106.42 4 4 2 50 299.365 7 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(2-methoxyphenyl)-2-(3-pyrroli…

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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) 1.63 5.02 -38.32 3 5 1 55 292.403 8 ↓
Mid Mid (pH 6-8) 1.63 6.37 -107.86 4 5 2 59 293.411 8 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(4-chlorophenyl)-2-(3-pyrrolid…

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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 6.11 -39.33 3 4 1 46 296.822 7 ↓
Mid Mid (pH 6-8) 2.30 7.45 -112.55 4 4 2 50 297.83 7 ↓

Analogs

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Popular Name: N-(2,6-dichlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(2,6-dichlorophenyl)-2-(3-pyrr…

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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) 2.88 6.98 -38.06 3 4 1 46 331.267 7 ↓
Mid Mid (pH 6-8) 2.88 8.32 -105.53 4 4 2 50 332.275 7 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(2-fluorophenyl)-2-(3-pyrrolid…

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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) 1.74 5.71 -37.68 3 4 1 46 280.367 7 ↓
Mid Mid (pH 6-8) 1.74 7.06 -108.83 4 4 2 50 281.375 7 ↓

Analogs

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Popular Name: N-(2-bromophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(2-bromophenyl)-2-(3-pyrrolidi…

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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) 2.38 6.34 -37.14 3 4 1 46 341.273 7 ↓
Mid Mid (pH 6-8) 2.38 7.68 -108.19 4 4 2 50 342.281 7 ↓

Analogs

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Popular Name: N-(3-fluorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide N-(3-fluorophenyl)-2-(3-pyrrolid…

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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) 1.76 5.66 -39.07 3 4 1 46 280.367 7 ↓
Mid Mid (pH 6-8) 1.76 6.99 -112.5 4 4 2 50 281.375 7 ↓

Analogs

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Popular Name: (2S)-N-phenyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide (2S)-N-phenyl-2-(3-pyrrolidin-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) 1.94 6.22 -37.72 3 4 1 46 276.404 7 ↓
Mid Mid (pH 6-8) 1.94 7.45 -106.08 4 4 2 50 277.412 7 ↓

Analogs

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Popular Name: (2R)-N-phenyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide (2R)-N-phenyl-2-(3-pyrrolidin-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) 1.94 6.31 -39.07 3 4 1 46 276.404 7 ↓
Mid Mid (pH 6-8) 1.94 7.45 -105.97 4 4 2 50 277.412 7 ↓

Analogs

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Popular Name: (2R)-N-(p-tolyl)-2-(3-pyrrolidin-1-ylpropylamino)propanamide (2R)-N-(p-tolyl)-2-(3-pyrrolidin…

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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) 2.38 6.99 -39.13 3 4 1 46 290.431 7 ↓
Mid Mid (pH 6-8) 2.38 8.12 -106.14 4 4 2 50 291.439 7 ↓

Analogs

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Popular Name: (2S)-N-(p-tolyl)-2-(3-pyrrolidin-1-ylpropylamino)propanamide (2S)-N-(p-tolyl)-2-(3-pyrrolidin…

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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) 2.38 6.89 -37.71 3 4 1 46 290.431 7 ↓
Mid Mid (pH 6-8) 2.38 8.13 -106.09 4 4 2 50 291.439 7 ↓

Parameters Provided:

ring.id = 185721
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 = 185721 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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