UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37834022
37834022
37835812
37835812

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Popular Name: 1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[methyl-(4-methylcyclohexyl…

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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) 2.34 10.07 -60.23 0 4 -1 60 280.388 4 ↓
Lo Low (pH 4.5-6) 2.34 7.47 -13.52 1 4 0 58 281.396 4 ↓

Analogs

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Popular Name: 4-[(2-cyclopentylacetyl)amino]-N-methyl-cyclohexanecarboxamide 4-[(2-cyclopentylacetyl)amino]-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) 1.88 4.79 -15.86 2 4 0 58 266.385 4 ↓

Analogs

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Popular Name: N-cyclohexyl-2-cyclopentyl-N-(2-hydroxyethyl)acetamide N-cyclohexyl-2-cyclopentyl-N-(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) 2.99 6.43 -7.64 1 3 0 41 253.386 5 ↓

Analogs

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Popular Name: 2-[1-[2-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-2-oxo-ethyl]cyclopentyl]acetic 2-[1-[2-[[(1S,2R,4R)-2,4-dimethy…

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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) 2.84 9.34 -48.69 1 4 -1 69 294.415 5 ↓
Lo Low (pH 4.5-6) 2.84 7.35 -5.13 2 4 0 66 295.423 5 ↓

Analogs

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Popular Name: 2-[1-[2-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-2-oxo-ethyl]cyclopentyl]acetic 2-[1-[2-[[(1S,2R,4S)-2,4-dimethy…

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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) 2.84 8.55 -48.35 1 4 -1 69 294.415 5 ↓
Lo Low (pH 4.5-6) 2.84 6.56 -5.52 2 4 0 66 295.423 5 ↓

Analogs

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Popular Name: 2-[1-[2-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-2-oxo-ethyl]cyclopentyl]acetic 2-[1-[2-[[(1R,2R,4R)-2,4-dimethy…

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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) 2.84 8.96 -48.68 1 4 -1 69 294.415 5 ↓
Lo Low (pH 4.5-6) 2.84 6.96 -5.62 2 4 0 66 295.423 5 ↓

Analogs

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Popular Name: 2-[1-[2-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-2-oxo-ethyl]cyclopentyl]acetic 2-[1-[2-[[(1R,2R,4S)-2,4-dimethy…

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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) 2.84 8.72 -48.78 1 4 -1 69 294.415 5 ↓
Lo Low (pH 4.5-6) 2.84 6.72 -5.59 2 4 0 66 295.423 5 ↓

Analogs

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Popular Name: 1-[2-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[[(1S,2R,4R)-2,4-dimethylcy…

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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) 2.57 9.37 -59.32 1 4 -1 69 280.388 4 ↓
Mid Mid (pH 6-8) 2.57 7.42 -12.65 2 4 0 66 281.396 4 ↓

Analogs

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Popular Name: 1-[2-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[[(1S,2R,4S)-2,4-dimethylcy…

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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) 2.57 8.58 -60.37 1 4 -1 69 280.388 4 ↓
Mid Mid (pH 6-8) 2.57 6.62 -13.2 2 4 0 66 281.396 4 ↓

Analogs

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Popular Name: 1-[2-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[[(1R,2R,4R)-2,4-dimethylcy…

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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) 2.57 9.18 -60.28 1 4 -1 69 280.388 4 ↓
Mid Mid (pH 6-8) 2.57 6.71 -13.34 2 4 0 66 281.396 4 ↓

Analogs

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Popular Name: 1-[2-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[[(1R,2R,4S)-2,4-dimethylcy…

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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) 2.57 8.94 -60.33 1 4 -1 69 280.388 4 ↓
Mid Mid (pH 6-8) 2.57 6.48 -13.34 2 4 0 66 281.396 4 ↓

Analogs

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Popular Name: 1-[2-oxo-2-[(4-propylcyclohexyl)amino]ethyl]cyclopentanecarboxylic 1-[2-oxo-2-[(4-propylcyclohexyl)…

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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) 3.34 9.72 -59.74 1 4 -1 69 294.415 6 ↓
Mid Mid (pH 6-8) 3.34 7.25 -13.42 2 4 0 66 295.423 6 ↓

Analogs

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Popular Name: 1-[(2-cyclopentylacetyl)amino]-4-methyl-cyclohexanecarboxylic 1-[(2-cyclopentylacetyl)amino]-4…

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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) 0.49 8.75 -57.93 1 4 -1 69 266.361 4 ↓

Analogs

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Popular Name: N-(3-aminopropyl)-N-cyclohexyl-2-cyclopentyl-acetamide N-(3-aminopropyl)-N-cyclohexyl-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) 2.70 7.31 -44.43 3 3 1 48 267.437 6 ↓

Analogs

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Popular Name: 1-[(2-cyclopentylacetyl)amino]-4-ethyl-cyclohexanecarboxylic 1-[(2-cyclopentylacetyl)amino]-4…

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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) 1.17 9.41 -57.75 1 4 -1 69 280.388 5 ↓

Parameters Provided:

ring.id = 66190
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 = 66190 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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