UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2782490
2782490
4745649
4745649
1517272
1517272
689202
689202

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Popular Name: 2-[4-chloro-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophe 2-[4-chloro-3-(difluoromethyl)-5…

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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) 2.92 1.94 -14.89 1 5 0 70 370.812 4 ↓

Analogs

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Popular Name: 2-[[2-(4-bromo-5-methyl-pyrazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxami 2-[[2-(4-bromo-5-methyl-pyrazol-…

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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) 1.34 -4.32 -17.42 3 6 0 90 383.271 4 ↓

Analogs

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Popular Name: 2-(4-bromo-5-methyl-pyrazol-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide 2-(4-bromo-5-methyl-pyrazol-1-yl…

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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) 2.27 0.02 -12.79 1 5 0 70 365.256 3 ↓

Analogs

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Popular Name: 2-[[2-(4-bromo-3-methyl-pyrazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxami 2-[[2-(4-bromo-3-methyl-pyrazol-…

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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) 1.34 -4.31 -18.01 3 6 0 90 383.271 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-3-methyl-pyrazol-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide 2-(4-bromo-3-methyl-pyrazol-1-yl…

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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) 2.27 0.03 -14.18 1 5 0 70 365.256 3 ↓

Analogs

2777650
2777650
2781546
2781546

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Popular Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]ac N-(3-cyano-5,6-dihydro-4H-cyclop…

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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) 2.31 2.11 -14.28 1 5 0 70 336.367 4 ↓

Analogs

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Popular Name: 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide 2-({[3,5-bis(difluoromethyl)-1H-…

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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 -1.01 -17.08 3 6 0 90 390.362 6 ↓

Analogs

2786151
2786151

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Popular Name: 2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]th 2-[[2-[5-methyl-4-nitro-3-(trifl…

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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) 2.63 8.67 -19.74 1 9 0 119 432.38 7 ↓

Parameters Provided:

ring.id = 177969
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 = 177969 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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