UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(2-amino-2-oxo-ethyl)-cyclopentyl-amino]-N-[(5-chloro-2-thienyl)methyl]acetamide 2-[(2-amino-2-oxo-ethyl)-cyclope…

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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) 2.18 3.67 -44.81 4 5 1 77 330.861 7 ↓
Hi High (pH 8-9.5) 2.18 1.98 -13.09 3 5 0 75 329.853 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[2-oxo-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]amino]acetic 2-[cyclopentyl-[2-oxo-2-[[(1S)-1…

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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) 1.54 7.84 -28.6 2 5 0 74 310.419 7 ↓
Hi High (pH 8-9.5) 1.54 6.04 -57.79 1 5 -1 72 309.411 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]amino]acetic 2-[cyclopentyl-[2-oxo-2-[[(1R)-1…

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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) 1.54 7.93 -28.46 2 5 0 74 310.419 7 ↓
Hi High (pH 8-9.5) 1.54 6.21 -57.58 1 5 -1 72 309.411 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[2-oxo-2-(2-thienylmethylamino)ethyl]amino]acetic 2-[cyclopentyl-[2-oxo-2-(2-thien…

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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) 0.98 7.01 -28.35 2 5 0 74 296.392 7 ↓
Hi High (pH 8-9.5) 0.98 5.22 -58.06 1 5 -1 72 295.384 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl]amino]acetic 2-[cyclopentyl-[2-[methyl(2-thie…

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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) 0.72 9.11 -30.31 1 5 0 65 310.419 7 ↓

Analogs

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Popular Name: 2-(cyclopentylamino)-N-methyl-N-[(1S)-1-(2-thienyl)ethyl]acetamide 2-(cyclopentylamino)-N-methyl-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) 2.71 7.24 -40.42 2 3 1 37 267.418 5 ↓
Hi High (pH 8-9.5) 2.71 6.05 -7.39 1 3 0 32 266.41 5 ↓

Analogs

57874634
57874634
57874638
57874638
15261512
15261512
15261510
15261510

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Popular Name: 2-(cyclopentylamino)-N-methyl-N-[(1R)-1-(2-thienyl)ethyl]acetamide 2-(cyclopentylamino)-N-methyl-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) 2.71 7.18 -40.52 2 3 1 37 267.418 5 ↓
Hi High (pH 8-9.5) 2.71 6.01 -7.17 1 3 0 32 266.41 5 ↓

Analogs

48580466
48580466
48580469
48580469

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Popular Name: 2-(cyclopentylamino)-N-methyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(cyclopentylamino)-N-methyl-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) 2.93 8.01 -40.61 2 3 1 37 281.445 5 ↓
Hi High (pH 8-9.5) 2.93 6.85 -7.38 1 3 0 32 280.437 5 ↓

Analogs

48580466
48580466
48580469
48580469

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Popular Name: 2-(cyclopentylamino)-N-methyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(cyclopentylamino)-N-methyl-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) 2.93 8.08 -40.52 2 3 1 37 281.445 5 ↓
Hi High (pH 8-9.5) 2.93 6.88 -7.63 1 3 0 32 280.437 5 ↓

Analogs

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Popular Name: 2-(cyclopentylamino)-N-[(1S)-1-(2-thienyl)propyl]acetamide 2-(cyclopentylamino)-N-[(1S)-1-(…

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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) 3.46 6.24 -39.15 3 3 1 46 267.418 6 ↓
Hi High (pH 8-9.5) 3.46 5.07 -5.24 2 3 0 41 266.41 6 ↓

Analogs

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Popular Name: 2-(cyclopentylamino)-N-[(1R)-1-(2-thienyl)propyl]acetamide 2-(cyclopentylamino)-N-[(1R)-1-(…

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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) 3.46 6.29 -39.06 3 3 1 46 267.418 6 ↓
Hi High (pH 8-9.5) 3.46 5.07 -5.16 2 3 0 41 266.41 6 ↓

Analogs

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Popular Name: 2-(cyclopentylamino)-N-[(1S)-1-(2-thienyl)butyl]acetamide 2-(cyclopentylamino)-N-[(1S)-1-(…

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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) 4.02 7.33 -40.59 3 3 1 46 281.445 7 ↓
Hi High (pH 8-9.5) 4.02 5.82 -5.09 2 3 0 41 280.437 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopentylamino)-N-[(1R)-1-(2-thienyl)butyl]acetamide 2-(cyclopentylamino)-N-[(1R)-1-(…

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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) 4.02 7.38 -40.55 3 3 1 46 281.445 7 ↓
Hi High (pH 8-9.5) 4.02 5.82 -5.08 2 3 0 41 280.437 7 ↓

Analogs

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-2-(cyclopentylamino)acetamide N-[(5-bromo-2-thienyl)methyl]-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) 3.34 5.59 -41.01 3 3 1 46 318.26 5 ↓
Hi High (pH 8-9.5) 3.34 4.38 -5.89 2 3 0 41 317.252 5 ↓

Parameters Provided:

ring.id = 27632
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 = 27632 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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