UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12437407
12437407
2687037
2687037

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Popular Name: (2Z)-2-[(4-tert-butylphenyl)sulfonylhydrazono]-N-(4-ethylphenyl)chromene-3-carboxamide (2Z)-2-[(4-tert-butylphenyl)sulf…

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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) 6.83 -4.07 -14.26 2 7 0 101 503.624 7 ↓

Analogs

3037804
3037804

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Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazono]-N-(4-ethylphenyl)chromene-3-carboxamide (2Z)-2-[(2,5-dimethoxyphenyl)sul…

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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) 5.17 7.2 -32 3 9 1 121 508.576 8 ↓
Hi High (pH 8-9.5) 5.17 7.43 -27.08 2 9 0 123 507.568 8 ↓

Analogs

15936961
15936961
12437585
12437585

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Popular Name: (2E)-2-(benzenesulfonylhydrazono)-N-(2-chlorophenyl)-8-methoxy-chromene-3-carboxamide (2E)-2-(benzenesulfonylhydrazono…

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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) 4.85 6.9 -34.24 3 8 1 112 484.941 6 ↓
Hi High (pH 8-9.5) 4.85 6.66 -26.03 2 8 0 114 483.933 6 ↓

Analogs

15936960
15936960
12437585
12437585

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Popular Name: (2Z)-2-(benzenesulfonylhydrazono)-N-(2-chlorophenyl)-8-methoxy-chromene-3-carboxamide (2Z)-2-(benzenesulfonylhydrazono…

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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) 4.85 6.8 -33.55 3 8 1 112 484.941 6 ↓
Hi High (pH 8-9.5) 4.85 7.47 -27.7 2 8 0 114 483.933 6 ↓

Analogs

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Popular Name: (2Z)-2-(benzenesulfonylhydrazono)-8-methoxy-N-(o-tolyl)chromene-3-carboxamide (2Z)-2-(benzenesulfonylhydrazono…

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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) 4.62 6.94 -36.82 3 8 1 112 464.523 6 ↓
Hi High (pH 8-9.5) 4.62 7.68 -25.8 2 8 0 114 463.515 6 ↓
Hi High (pH 8-9.5) 4.62 6.87 -29.08 2 8 0 114 463.515 6 ↓

Parameters Provided:

ring.id = 40681
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 = 40681 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=40681&filter.purchasability=annotated

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