UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2775026
2775026

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Popular Name: N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethyl-4-nitro-pyrazole-3-carboxamide N-(3-carbamoyl-5,6-dihydro-4H-cy…

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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) 0.97 -2.68 -19.61 3 9 0 135 349.372 5 ↓

Analogs

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Popular Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethyl-4-nitro-pyrazole-3-carboxamide 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) 1.90 1.66 -14.93 1 8 0 116 331.357 4 ↓

Analogs

2776628
2776628

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Popular Name: 1-(chloromethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrazole-3-carboxamide 1-(chloromethyl)-N-(3-cyano-5,6-…

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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) 2.23 0.42 -11.29 1 5 0 70 306.778 3 ↓

Analogs

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Popular Name: 5-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylic- 5-[(3-carbamoyl-5,6-dihydro-4H-c…

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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 -2.75 -14.18 3 8 0 116 362.411 6 ↓

Parameters Provided:

ring.id = 234337
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 = 234337 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=234337&filter.purchasability=annotated

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