UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14552885
14552885

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Popular Name: benzamide, 2-methyl-N-[4-[[[[4-(2-phenoxyethoxy)benzoyl]amino]thioxomethyl]amino]phenyl]- benzamide, 2-methyl-N-[4-[[[[4-(…

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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) 5.41 13.33 -25.95 3 7 0 89 525.63 11 ↓

Analogs

14553481
14553481

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Popular Name: benzamide, 3-methyl-N-[4-[[[[4-(2-phenoxyethoxy)benzoyl]amino]thioxomethyl]amino]phenyl]- benzamide, 3-methyl-N-[4-[[[[4-(…

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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) 5.44 13.26 -32.57 3 7 0 89 525.63 11 ↓

Analogs

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Popular Name: benzamide, N-[[[4-(benzoylamino)-3-methylphenyl]amino]thioxomethyl]-4-(2-phenoxyethoxy)- benzamide, N-[[[4-(benzoylamino)…

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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) 5.39 13.49 -24.78 3 7 0 89 525.63 11 ↓

Parameters Provided:

ring.id = 245804
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 = 245804 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=245804&filter.purchasability=annotated

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