UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7149984
7149984

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Popular Name: ethyl ethyl

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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) 2.42 7.68 -11.16 1 6 0 92 347.44 7 ↓

Analogs

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Popular Name: 2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[2-(cyclopentylamino)-2-oxo-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) 2.00 5.88 -50.18 1 5 -1 82 279.341 5 ↓

Analogs

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Popular Name: 2-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[2-[(1-cyanocyclopentyl)amino]…

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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) 1.86 5.78 -56.71 1 6 -1 106 304.351 5 ↓

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-(1-cyanocyclopentyl)acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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) 1.43 3.18 -14.73 3 5 0 92 276.365 4 ↓

Analogs

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Popular Name: (2S)-2-[(3-amino-2-pyridyl)sulfanyl]-N-cyclopentyl-propanamide (2S)-2-[(3-amino-2-pyridyl)sulfa…

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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) 1.94 4.2 -9.09 3 4 0 68 265.382 4 ↓

Analogs

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Popular Name: (2R)-2-[(3-amino-2-pyridyl)sulfanyl]-N-cyclopentyl-propanamide (2R)-2-[(3-amino-2-pyridyl)sulfa…

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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) 1.94 4.21 -9.05 3 4 0 68 265.382 4 ↓

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-cyclopentyl-acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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) 1.58 3.28 -9.13 3 4 0 68 251.355 4 ↓

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-(1-cyanocyclopentyl)acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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) 1.65 3.1 -15.36 3 5 0 92 276.365 4 ↓

Analogs

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Popular Name: (2S)-2-[(5-amino-2-pyridyl)sulfanyl]-N-cyclopentyl-propanamide (2S)-2-[(5-amino-2-pyridyl)sulfa…

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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) 2.16 4.13 -9.65 3 4 0 68 265.382 4 ↓

Analogs

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Popular Name: (2R)-2-[(5-amino-2-pyridyl)sulfanyl]-N-cyclopentyl-propanamide (2R)-2-[(5-amino-2-pyridyl)sulfa…

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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) 2.16 4.14 -9.63 3 4 0 68 265.382 4 ↓

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-cyclopentyl-acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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) 1.80 3.2 -9.64 3 4 0 68 251.355 4 ↓

Analogs

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Popular Name: 6-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 6-[2-(cyclopentylamino)-2-oxo-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) 1.72 5.87 -46.41 1 5 -1 82 279.341 5 ↓

Analogs

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Popular Name: 6-[(1S)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 6-[(1S)-2-(cyclopentylamino)-1-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) 2.08 6.79 -46.14 1 5 -1 82 293.368 5 ↓

Analogs

42173338
42173338
42173341
42173341
42173713
42173713
42173716
42173716
42174829
42174829

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Popular Name: 6-[(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 6-[(1R)-2-(cyclopentylamino)-1-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) 2.08 6.79 -46.1 1 5 -1 82 293.368 5 ↓

Analogs

42172133
42172133
42173178
42173178
42174847
42174847
5445833
5445833

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Popular Name: 6-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 6-[2-[(1-cyanocyclopentyl)amino]…

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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) 1.57 5.77 -51.65 1 6 -1 106 304.351 5 ↓

Parameters Provided:

ring.id = 4981
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 = 4981 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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