UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-cyclohexyl-N-cyclopentyl-acetamide 2-cyclohexyl-N-cyclopentyl-aceta…

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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) 3.56 6.73 -6.29 1 2 0 29 209.333 3 ↓

Analogs

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Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-N-cyclopentyl-acetamide 2-[(1S,2S)-2-aminocyclohexyl]-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) 1.74 3.8 -50.68 4 3 1 57 225.356 3 ↓

Analogs

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Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-N-cyclopentyl-acetamide 2-[(1R,2S)-2-aminocyclohexyl]-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) 1.74 4.01 -51.99 4 3 1 57 225.356 3 ↓

Analogs

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Popular Name: 2-[(1S,2R)-2-aminocyclohexyl]-N-cyclopentyl-acetamide 2-[(1S,2R)-2-aminocyclohexyl]-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) 1.74 4.01 -51.91 4 3 1 57 225.356 3 ↓

Analogs

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Popular Name: 2-[(1R,2R)-2-aminocyclohexyl]-N-cyclopentyl-acetamide 2-[(1R,2R)-2-aminocyclohexyl]-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) 1.74 4.18 -52.15 4 3 1 57 225.356 3 ↓

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-N-cyclopentyl-acetamide 2-(4-aminocyclohexyl)-N-cyclopen…

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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) 1.45 4 -44.37 4 3 1 57 225.356 3 ↓

Analogs

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Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-N-cyclopentyl-acetamide 2-[(1R,3S)-3-aminocyclohexyl]-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) 1.68 3.98 -49.09 4 3 1 57 225.356 3 ↓

Analogs

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Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-N-cyclopentyl-acetamide 2-[(1S,3S)-3-aminocyclohexyl]-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) 1.68 4.16 -43.77 4 3 1 57 225.356 3 ↓

Analogs

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Popular Name: 2-[(1R,3R)-3-aminocyclohexyl]-N-cyclopentyl-acetamide 2-[(1R,3R)-3-aminocyclohexyl]-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) 1.68 3.73 -52.4 4 3 1 57 225.356 3 ↓

Analogs

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Popular Name: 2-[(1S,3R)-3-aminocyclohexyl]-N-cyclopentyl-acetamide 2-[(1S,3R)-3-aminocyclohexyl]-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) 1.68 3.99 -49.09 4 3 1 57 225.356 3 ↓

Analogs

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Popular Name: N-(3-aminopropyl)-2-cyclohexyl-N-cyclopentyl-acetamide N-(3-aminopropyl)-2-cyclohexyl-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) 2.88 7.43 -44.25 3 3 1 48 267.437 6 ↓

Analogs

37865235
37865235
37865236
37865236

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Popular Name: 1-[(2-cyclohexylacetyl)amino]cyclopentanecarboxylic 1-[(2-cyclohexylacetyl)amino]cyc…

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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) 0.90 7.69 -58.4 1 4 -1 69 252.334 4 ↓

Analogs

35083144
35083144
35083147
35083147
35280691
35280691
35765687
35765687
36137493
36137493

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Popular Name: 1-[2-[allyl(cyclopentyl)amino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[allyl(cyclopentyl)amino]-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) 3.21 10.45 -58.66 0 4 -1 60 292.399 6 ↓
Lo Low (pH 4.5-6) 3.21 8.3 -12.22 1 4 0 58 293.407 6 ↓

Analogs

35135620
35135620
35135622
35135622
35083147
35083147
35280691
35280691
35765687
35765687

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Popular Name: 1-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[cyclopentyl(2-hydroxyethyl…

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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 6.78 -57.24 1 5 -1 81 296.387 6 ↓
Lo Low (pH 4.5-6) 1.94 5.15 -8.04 2 5 0 78 297.395 6 ↓

Parameters Provided:

ring.id = 244451
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 = 244451 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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