UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N5-(4-chlorophenyl)-N4-[3-[[5-[(4-chlorophenyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]propyl]-1H-i N5-(4-chlorophenyl)-N4-[3-[[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) 2.29 8.56 -38.16 6 12 0 174 569.409 10 ↓

Analogs

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Popular Name: N5-(3-chlorophenyl)-N4-[3-[[5-[(3-chlorophenyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]propyl]-1H-i N5-(3-chlorophenyl)-N4-[3-[[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) 2.24 8.59 -42.75 6 12 0 174 569.409 10 ↓

Analogs

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Popular Name: N5-(p-tolyl)-N4-[3-[[5-(p-tolylcarbamoyl)-1H-imidazole-4-carbonyl]amino]propyl]-1H-imidazole-4,5-dic N5-(p-tolyl)-N4-[3-[[5-(p-tolylc…

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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) 1.83 8.87 -39.35 6 12 0 174 528.573 10 ↓

Parameters Provided:

ring.id = 471952
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 = 471952 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=471952&filter.purchasability=annotated

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