UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34680039
34680039
34680046
34680046
34680066
34680066
34680073
34680073

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-phenyl-thiophene-2-carboxamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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) 5.06 -0.16 -15.29 1 4 0 49 404.535 6 ↓

Analogs

34680039
34680039
34680046
34680046
34680066
34680066
34680073
34680073

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Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-phenyl-thiophene-2-carboxamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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) 5.06 -0.08 -11.96 1 4 0 49 404.535 6 ↓

Analogs

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(o-tolyl)thiophene-2-carboxamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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) 5.46 0.85 -15.1 1 4 0 49 418.562 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(o-tolyl)thiophene-2-carboxamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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) 5.46 0.64 -10.29 1 4 0 49 418.562 6 ↓

Analogs

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(2-fluorophenyl)thiophene-2-carboxamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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) 5.17 0.58 -12.24 1 4 0 49 422.525 6 ↓

Analogs

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Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(2-fluorophenyl)thiophene-2-carboxamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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) 5.17 0.7 -11.71 1 4 0 49 422.525 6 ↓

Analogs

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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) 5.20 0.49 -9.18 1 4 0 49 422.525 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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) 5.20 0.24 -19.31 1 4 0 49 422.525 6 ↓

Analogs

34680046
34680046
34680073
34680073

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(m-tolyl)thiophene-2-carboxamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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) 5.48 0.29 -15.45 1 4 0 49 418.562 6 ↓

Analogs

34680046
34680046
34680073
34680073

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(m-tolyl)thiophene-2-carboxamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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) 5.48 0.32 -15.62 1 4 0 49 418.562 6 ↓

Analogs

34679925
34679925

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(4-fluorophenyl)thiophene-2-carboxamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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) 5.22 0.58 -13.53 1 4 0 49 422.525 6 ↓

Analogs

34679925
34679925
34680046
34680046

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(4-fluorophenyl)thiophene-2-carboxamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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) 5.22 0.24 -15.75 1 4 0 49 422.525 6 ↓

Analogs

34679925
34679925

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(4-fluorophenyl)thiophene-2-carboxamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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) 5.67 11.88 -15.04 1 4 0 49 436.552 6 ↓

Analogs

34679925
34679925

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(4-fluorophenyl)thiophene-2-carboxamide N-[(1R)-2-(cyclopentylamino)-2-k…

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Activity (Go SEA)

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) 5.67 11.69 -15.6 1 4 0 49 436.552 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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) 5.65 12.68 -16.39 1 4 0 49 436.552 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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) 5.65 11.84 -14.85 1 4 0 49 436.552 6 ↓

Parameters Provided:

ring.id = 224166
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 = 224166 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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