UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(2-furyl)-4H-pyrazol-4-one N-phenylhydrazone 3-(2-furyl)-4H-pyrazol-4-one N-p…

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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) 3.25 3.64 -9.04 1 5 0 67 238.25 3 ↓
Ref Reference (pH 7) 2.52 5.2 -14.66 1 5 0 63 238.25 3 ↓
Mid Mid (pH 6-8) 3.25 3.78 -10.75 1 5 0 67 238.25 3 ↓

Analogs

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Popular Name: 3-(2-furyl)-4H-pyrazol-4-one N-(3-methylphenyl)hydrazone 3-(2-furyl)-4H-pyrazol-4-one N-(…

Find On: PubMed — Wikipedia — Google

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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) 3.68 4.45 -10.44 1 5 0 67 252.277 3 ↓
Ref Reference (pH 7) 2.95 5.87 -14.08 1 5 0 63 252.277 3 ↓
Mid Mid (pH 6-8) 3.68 4.31 -8.79 1 5 0 67 252.277 3 ↓

Parameters Provided:

ring.id = 149490
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 = 149490 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=149490&filter.purchasability=annotated

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