UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-methyl-N-[(1S)-1-(2-thienyl)ethyl]cyclopentanecarboxamide N-methyl-N-[(1S)-1-(2-thienyl)et…

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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) 3.30 7.73 -7.6 0 2 0 20 237.368 3 ↓

Analogs

44826146
44826146
44826147
44826147

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Popular Name: N-methyl-N-[(1R)-1-(2-thienyl)ethyl]cyclopentanecarboxamide N-methyl-N-[(1R)-1-(2-thienyl)et…

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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) 3.30 7.63 -7.98 0 2 0 20 237.368 3 ↓

Analogs

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Popular Name: 1-amino-N-[(5-chloro-2-thienyl)methyl]cyclopentanecarboxamide 1-amino-N-[(5-chloro-2-thienyl)m…

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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) 2.40 3.34 -49.75 4 3 1 57 259.782 3 ↓
Hi High (pH 8-9.5) 2.40 3.11 -5.32 3 3 0 55 258.774 3 ↓

Analogs

35736788
35736788
35736789
35736789

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Popular Name: 1-amino-N-methyl-N-[(1S)-1-(2-thienyl)ethyl]cyclopentanecarboxamide 1-amino-N-methyl-N-[(1S)-1-(2-th…

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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) 2.40 4.9 -50.28 3 3 1 48 253.391 3 ↓
Mid Mid (pH 6-8) 2.40 4.71 -6.77 2 3 0 46 252.383 3 ↓

Analogs

35736788
35736788
35736789
35736789

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-methyl-N-[(1R)-1-(2-thienyl)ethyl]cyclopentanecarboxamide 1-amino-N-methyl-N-[(1R)-1-(2-th…

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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) 2.40 4.89 -47.33 3 3 1 48 253.391 3 ↓
Mid Mid (pH 6-8) 2.40 4.75 -6.7 2 3 0 46 252.383 3 ↓

Analogs

44379369
44379369
44379373
44379373
48925888
48925888
48925890
48925890
35736788
35736788

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-methyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]cyclopentanecarboxamide 1-amino-N-methyl-N-[(1R)-1-(5-me…

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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) 2.62 5.74 -47.28 3 3 1 48 267.418 3 ↓
Mid Mid (pH 6-8) 2.62 5.6 -6.91 2 3 0 46 266.41 3 ↓

Analogs

44379369
44379369
44379373
44379373
48925888
48925888
48925890
48925890
35736788
35736788

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-methyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]cyclopentanecarboxamide 1-amino-N-methyl-N-[(1S)-1-(5-me…

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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) 2.62 5.73 -50.41 3 3 1 48 267.418 3 ↓
Mid Mid (pH 6-8) 2.62 5.54 -6.94 2 3 0 46 266.41 3 ↓

Analogs

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Popular Name: 1-amino-N-[(1S)-1-(2-thienyl)propyl]cyclopentanecarboxamide 1-amino-N-[(1S)-1-(2-thienyl)pro…

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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 4.14 -48.47 4 3 1 57 253.391 4 ↓
Mid Mid (pH 6-8) 2.66 3.91 -4.87 3 3 0 55 252.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-[(1R)-1-(2-thienyl)propyl]cyclopentanecarboxamide 1-amino-N-[(1R)-1-(2-thienyl)pro…

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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 4.14 -47.45 4 3 1 57 253.391 4 ↓
Mid Mid (pH 6-8) 2.66 3.91 -4.8 3 3 0 55 252.383 4 ↓

Analogs

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Popular Name: 1-amino-N-[(1S)-1-(2-thienyl)butyl]cyclopentanecarboxamide 1-amino-N-[(1S)-1-(2-thienyl)but…

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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 4.89 -48.61 4 3 1 57 267.418 5 ↓
Hi High (pH 8-9.5) 3.22 4.66 -4.78 3 3 0 55 266.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-[(1R)-1-(2-thienyl)butyl]cyclopentanecarboxamide 1-amino-N-[(1R)-1-(2-thienyl)but…

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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 4.89 -47.46 4 3 1 57 267.418 5 ↓
Hi High (pH 8-9.5) 3.22 4.66 -4.73 3 3 0 55 266.41 5 ↓

Parameters Provided:

ring.id = 39432
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 = 39432 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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