UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea 1-(4-ethoxyphenyl)-3-(2-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) 2.31 -2.47 -43.7 3 5 1 54 278.376 6 ↓

Analogs

12223527
12223527

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Popular Name: 1-(p-tolyl)-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea 1-(p-tolyl)-3-[(2S)-2-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) 2.66 -1.43 -40.83 3 4 1 46 262.377 4 ↓

Analogs

12223525
12223525

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Popular Name: 1-(p-tolyl)-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea 1-(p-tolyl)-3-[(2R)-2-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) 2.66 -1.61 -39.61 3 4 1 46 262.377 4 ↓

Analogs

12223543
12223543

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea 1-(3-chloro-4-methyl-phenyl)-3-[…

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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 -1.57 -42.44 3 4 1 46 296.822 4 ↓

Analogs

12223541
12223541

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea 1-(3-chloro-4-methyl-phenyl)-3-[…

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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 -1.76 -41.14 3 4 1 46 296.822 4 ↓

Analogs

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Popular Name: 1-[(2S)-4-methyl-2-pyrrolidin-1-yl-pentyl]-3-(4-sulfamoylphenyl)urea 1-[(2S)-4-methyl-2-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) 2.21 2.66 -60.09 5 7 1 106 369.511 7 ↓
Hi High (pH 8-9.5) 2.21 0.33 -20.11 4 7 0 105 368.503 7 ↓

Analogs

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Popular Name: 1-[(2R)-4-methyl-2-pyrrolidin-1-yl-pentyl]-3-(4-sulfamoylphenyl)urea 1-[(2R)-4-methyl-2-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) 2.21 3.48 -57.4 5 7 1 106 369.511 7 ↓
Hi High (pH 8-9.5) 2.21 1.48 -20.74 4 7 0 105 368.503 7 ↓

Analogs

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Popular Name: 1-[(2S)-4-methyl-2-pyrrolidin-1-yl-pentyl]-3-(2-nitrophenyl)urea 1-[(2S)-4-methyl-2-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) 3.43 8.87 -45.79 3 7 1 91 335.428 7 ↓
Hi High (pH 8-9.5) 3.43 6.54 -8.93 2 7 0 90 334.42 7 ↓

Analogs

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Popular Name: 1-[(2R)-4-methyl-2-pyrrolidin-1-yl-pentyl]-3-(2-nitrophenyl)urea 1-[(2R)-4-methyl-2-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) 3.43 8.79 -42.51 3 7 1 91 335.428 7 ↓
Hi High (pH 8-9.5) 3.43 6.72 -9.14 2 7 0 90 334.42 7 ↓

Analogs

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Popular Name: 3-(4-methoxy-2-nitro-phenyl)-1-[(2R)-3-methyl-2-pyrrolidin-1-yl-butyl]urea 3-(4-methoxy-2-nitro-phenyl)-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) 2.93 7.8 -44.17 3 8 1 101 351.427 7 ↓
Hi High (pH 8-9.5) 2.93 5.61 -9.41 2 8 0 99 350.419 7 ↓

Analogs

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Popular Name: 3-(4-methoxy-2-nitro-phenyl)-1-[(2S)-3-methyl-2-pyrrolidin-1-yl-butyl]urea 3-(4-methoxy-2-nitro-phenyl)-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) 2.93 7.3 -45.09 3 8 1 101 351.427 7 ↓
Hi High (pH 8-9.5) 2.93 4.98 -8.57 2 8 0 99 350.419 7 ↓

Analogs

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Popular Name: BRD-K20349244-001-01-6 BRD-K20349244-001-01-6

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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) 2.73 6.59 -40.13 3 4 1 46 302.32 5 ↓

Analogs

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Popular Name: 5-iodo-2-(2-pyrrolidin-1-ylethylcarbamoylamino)benzoic 5-iodo-2-(2-pyrrolidin-1-ylethyl…

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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) 2.98 7.31 -59.94 3 6 0 86 403.22 5 ↓

Analogs

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Popular Name: 3-bromo-2-(2-pyrrolidin-1-ylethylcarbamoylamino)benzoic 3-bromo-2-(2-pyrrolidin-1-ylethy…

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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 6.8 -59.35 3 6 0 86 356.22 5 ↓

Analogs

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Popular Name: 3-fluoro-4-(2-pyrrolidin-1-ylethylcarbamoylamino)benzoic 3-fluoro-4-(2-pyrrolidin-1-yleth…

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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) 1.88 6 -75.14 3 6 0 86 295.314 5 ↓

Analogs

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Popular Name: N-tert-butyl-4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]benzamide N-tert-butyl-4-[[methyl(2-pyrrol…

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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) 2.50 8.16 -43.54 3 6 1 66 347.483 6 ↓

Analogs

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Popular Name: 1-(3-acetylphenyl)-3-(2-pyrrolidin-1-ylethyl)urea 1-(3-acetylphenyl)-3-(2-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) 1.75 5.8 -48.23 3 5 1 63 276.36 5 ↓

Analogs

45209547
45209547

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Popular Name: 1-(4-acetylphenyl)-3-(2-pyrrolidin-1-ylethyl)urea 1-(4-acetylphenyl)-3-(2-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 5.72 -46.7 3 5 1 63 276.36 5 ↓

Parameters Provided:

ring.id = 4390
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 = 4390 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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