UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11979543
11979543

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Popular Name: 7-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[(2S)-tetrahydrofuran-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triaz 7-[(E)-3-(2-methoxyphenyl)prop-2…

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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) 2.27 0.31 -61.38 1 6 1 54 355.462 5 ↓

Analogs

11979536
11979536

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Popular Name: 7-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[(2R)-tetrahydrofuran-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triaz 7-[(E)-3-(2-methoxyphenyl)prop-2…

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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) 2.27 0.56 -61.52 1 6 1 54 355.462 5 ↓

Analogs

12022630
12022630

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Popular Name: 7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-[(2S)-tetrahydrofuran-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triaz 7-[(E)-3-(4-methoxyphenyl)prop-2…

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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) 2.49 0.42 -65.12 1 6 1 54 355.462 5 ↓

Analogs

12022622
12022622

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Popular Name: 7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-[(2R)-tetrahydrofuran-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triaz 7-[(E)-3-(4-methoxyphenyl)prop-2…

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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) 2.49 0.48 -64.7 1 6 1 54 355.462 5 ↓

Parameters Provided:

ring.id = 63887
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 = 63887 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=63887&filter.purchasability=annotated

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