UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017741
35017741

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Popular Name: N-[(2Z,10S)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-3,4-dioxo-6,7,9,10-tetrahydropyrimid N-[(2Z,10S)-2-[[(4-fluorophenyl)…

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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) -1.47 -1.42 -15.02 2 12 0 156 472.433 5 ↓
Mid Mid (pH 6-8) -1.47 -0.79 -52.03 1 12 -1 159 471.425 5 ↓
Lo Low (pH 4.5-6) -1.47 0.29 -44.13 3 12 1 158 473.441 5 ↓

Analogs

35017739
35017739

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Popular Name: N-[(2Z,10R)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-3,4-dioxo-6,7,9,10-tetrahydropyrimid N-[(2Z,10R)-2-[[(4-fluorophenyl)…

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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) -1.47 -1.81 -19.14 2 12 0 156 472.433 5 ↓
Mid Mid (pH 6-8) -1.47 -1.17 -63.23 1 12 -1 159 471.425 5 ↓
Lo Low (pH 4.5-6) -1.47 -0.09 -45.02 3 12 1 158 473.441 5 ↓

Parameters Provided:

ring.id = 15104
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 = 15104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=15104&filter.purchasability=annotated

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