UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2794376
2794376
2797606
2797606

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Popular Name: 2,4-dichloro-N-(1,5-dimethylpyrazol-4-yl)-5-pyrrolidinosulfonyl-benzamide 2,4-dichloro-N-(1,5-dimethylpyra…

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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) 2.35 -4.65 -14.52 1 7 0 84 417.318 4 ↓

Analogs

2797606
2797606

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Popular Name: 4-[(2,4-dichloro-5-pyrrolidinosulfonyl-benzoyl)amino]-2-methyl-N-propyl-pyrazole-3-carboxamide 4-[(2,4-dichloro-5-pyrrolidinosu…

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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) 2.44 -6.82 -14.59 2 9 0 113 488.397 7 ↓

Analogs

2794376
2794376

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-(1-ethyl-5-methyl-pyrazol-4-yl)-5-pyrrolidinosulfonyl-benzamide 2,4-dichloro-N-(1-ethyl-5-methyl…

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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) 2.73 -4.58 -14.28 1 7 0 84 431.345 5 ↓

Parameters Provided:

ring.id = 238364
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 = 238364 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=238364&filter.purchasability=annotated

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