UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14240859
14240859

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Popular Name: (3S)-N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-1-oxo-isochroman-3-carboxami (3S)-N-(6-amino-1-isobutyl-2,4-d…

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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) 0.89 7.45 -39.01 3 10 0 137 430.461 7 ↓

Analogs

14240858
14240858

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Popular Name: (3R)-N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-1-oxo-isochroman-3-carboxami (3R)-N-(6-amino-1-isobutyl-2,4-d…

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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) 0.89 6.76 -32.58 3 10 0 137 430.461 7 ↓

Analogs

14252907
14252907

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Popular Name: (3S)-N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-(3-methoxypropyl)-1-oxo-isochroman-3-carboxam (3S)-N-(6-amino-1-isobutyl-2,4-d…

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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) 1.16 7.69 -38.91 3 10 0 137 444.488 8 ↓

Analogs

14252904
14252904

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Popular Name: (3R)-N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-(3-methoxypropyl)-1-oxo-isochroman-3-carboxam (3R)-N-(6-amino-1-isobutyl-2,4-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.16 7.51 -19.46 3 10 0 137 444.488 8 ↓

Parameters Provided:

ring.id = 236295
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 = 236295 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=236295&filter.purchasability=annotated

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