UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36776276
36776276

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Popular Name: 1-[2-[ethyl(4-pyridylmethyl)amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[ethyl(4-pyridylmethyl)amin…

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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) 1.15 9.28 -62.25 0 5 -1 73 289.355 6 ↓
Lo Low (pH 4.5-6) 1.15 6.81 -15.09 1 5 0 71 290.363 6 ↓
Lo Low (pH 4.5-6) 1.15 7.27 -42.82 2 5 1 72 291.371 6 ↓

Analogs

35206552
35206552
35206553
35206553
35720351
35720351
35720353
35720353
6715589
6715589

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Popular Name: 1-[2-[methyl-[(1S)-1-(4-pyridyl)ethyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[methyl-[(1S)-1-(4-pyridyl)…

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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) 1.33 9.31 -61.51 0 5 -1 73 289.355 5 ↓
Lo Low (pH 4.5-6) 1.33 7.34 -45.95 2 5 1 72 291.371 5 ↓
Lo Low (pH 4.5-6) 1.33 9.77 -70.35 1 5 0 75 290.363 5 ↓

Analogs

35206552
35206552
35206553
35206553
35720351
35720351
35720353
35720353
6715589
6715589

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[methyl-[(1R)-1-(4-pyridyl)ethyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[methyl-[(1R)-1-(4-pyridyl)…

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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) 1.33 8.56 -60.46 0 5 -1 73 289.355 5 ↓
Lo Low (pH 4.5-6) 1.33 6.57 -45.32 2 5 1 72 291.371 5 ↓
Lo Low (pH 4.5-6) 1.33 9.02 -79.32 1 5 0 75 290.363 5 ↓

Analogs

41971305
41971305

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Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-(4-pyridylmethyl)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) 0.44 3.98 -11.65 2 5 0 71 275.352 5 ↓
Lo Low (pH 4.5-6) 0.44 4.49 -45.04 3 5 1 72 276.36 5 ↓

Analogs

41971303
41971303

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Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-(4-pyridylmethyl)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) 0.44 5.15 -15.78 2 5 0 71 275.352 5 ↓
Lo Low (pH 4.5-6) 0.44 4.13 -41.59 3 5 1 72 276.36 5 ↓

Parameters Provided:

ring.id = 202630
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 = 202630 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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