UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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) 3.03 7.52 -13.32 2 4 0 58 356.388 7 ↓

Analogs

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Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (2R)-2-acetamido-2-cyclopentyl-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) 3.03 8.69 -18.45 2 4 0 58 356.388 7 ↓

Analogs

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Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide (2R)-2-acetamido-2-cyclopentyl-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) 2.54 8.73 -21.2 2 6 0 77 376.497 10 ↓

Analogs

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Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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) 2.54 7.57 -16.45 2 6 0 77 376.497 10 ↓

Analogs

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Popular Name: 2-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide 2-cyclopentyl-N-[(2R)-2-(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) 3.14 8.13 -42.95 2 4 1 43 305.442 7 ↓
Mid Mid (pH 6-8) 3.14 6.25 -9.26 1 4 0 42 304.434 7 ↓

Analogs

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Popular Name: 2-cyclopentyl-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide 2-cyclopentyl-N-[(2S)-2-(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) 3.14 8.14 -43.72 2 4 1 43 305.442 7 ↓
Mid Mid (pH 6-8) 3.14 5.62 -8.45 1 4 0 42 304.434 7 ↓

Analogs

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Popular Name: 2-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide 2-cyclopentyl-N-[(2R)-2-(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) 3.22 8.9 -43.49 2 3 1 34 293.406 6 ↓
Mid Mid (pH 6-8) 3.22 6.37 -8.64 1 3 0 32 292.398 6 ↓

Analogs

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Popular Name: 2-cyclopentyl-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide 2-cyclopentyl-N-[(2S)-2-(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) 3.22 8.88 -43.97 2 3 1 34 293.406 6 ↓
Mid Mid (pH 6-8) 3.22 6.46 -6.69 1 3 0 32 292.398 6 ↓

Analogs

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Popular Name: 2-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide 2-cyclopentyl-N-[(2R)-2-(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) 3.12 8.11 -40.88 2 4 1 43 305.442 7 ↓
Mid Mid (pH 6-8) 3.12 6.23 -8.91 1 4 0 42 304.434 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide 2-cyclopentyl-N-[(2S)-2-(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) 3.12 8.15 -41.45 2 4 1 43 305.442 7 ↓
Mid Mid (pH 6-8) 3.12 5.61 -7.87 1 4 0 42 304.434 7 ↓

Analogs

35123452
35123452
35126056
35126056
35135225
35135225
35135224
35135224
299804
299804

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Popular Name: 1-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[methyl(phenethyl)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) 2.47 10.92 -63.3 0 4 -1 60 288.367 6 ↓
Lo Low (pH 4.5-6) 2.47 8.45 -15.42 1 4 0 58 289.375 6 ↓

Parameters Provided:

ring.id = 48873
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 = 48873 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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