UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12275797
12275797

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Popular Name: 3-{4-nitrophenyl}-1-phenyl-1H-pyrazole-4,5-dione 4-(phenylhydrazone) 3-{4-nitrophenyl}-1-phenyl-1H-py…

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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) 4.13 11.52 -10.43 1 8 0 105 385.383 5 ↓
Ref Reference (pH 7) 4.13 11.22 -12.85 1 8 0 105 385.383 5 ↓

Analogs

8993758
8993758

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Popular Name: 4-[(N'Z)-N'-[1-(4-nitrophenyl)-5-oxo-3-phenyl-pyrazol-4-ylidene]hydrazino]benzenesulfonic 4-[(N'Z)-N'-[1-(4-nitrophenyl)-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) 1.12 7.6 -44.6 1 11 -1 162 464.439 6 ↓

Parameters Provided:

ring.id = 134095
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 = 134095 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=134095&filter.purchasability=annotated

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