UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11975278
11975278

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Popular Name: 2,5-difluoro-N-[(1R)-1-[7-[(2-phenylthiazol-5-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1 2,5-difluoro-N-[(1R)-1-[7-[(2-ph…

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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) 3.63 -0.13 -61.53 2 7 1 77 495.579 6 ↓

Analogs

11975272
11975272

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Popular Name: 2,5-difluoro-N-[(1S)-1-[7-[(2-phenylthiazol-5-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1 2,5-difluoro-N-[(1S)-1-[7-[(2-ph…

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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) 3.63 -0.11 -61.53 2 7 1 77 495.579 6 ↓

Analogs

11980511
11980511

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Popular Name: 2-methyl-N-[(1R)-1-[7-[(2-phenylthiazol-5-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]d 2-methyl-N-[(1R)-1-[7-[(2-phenyl…

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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) 3.78 -1.29 -59.81 2 7 1 77 473.626 6 ↓

Analogs

11980500
11980500

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Popular Name: 2-methyl-N-[(1S)-1-[7-[(2-phenylthiazol-5-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]d 2-methyl-N-[(1S)-1-[7-[(2-phenyl…

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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) 3.78 -1.27 -59.81 2 7 1 77 473.626 6 ↓

Parameters Provided:

ring.id = 62687
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 = 62687 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=62687&filter.purchasability=annotated

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