UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7S)-5-(3-methoxyphenyl)-7-(p-tolyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7S)-5-(3-methoxyphenyl)-7-(p-to…

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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) 3.41 12.35 -9.99 1 5 0 52 318.38 3 ↓
Mid Mid (pH 6-8) 3.58 12.02 -34.45 1 5 1 54 319.388 3 ↓
Lo Low (pH 4.5-6) 3.58 12.21 -31.56 1 5 1 54 319.388 3 ↓

Analogs

13127655
13127655

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Popular Name: N-[(7S)-5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acet N-[(7S)-5-(4-chlorophenyl)-7-(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) 3.37 12.33 -24.09 1 7 0 81 395.85 4 ↓
Mid Mid (pH 6-8) 3.37 12.65 -44.69 2 7 1 83 396.858 4 ↓
Mid Mid (pH 6-8) 3.90 12.43 -99.94 4 7 2 91 397.866 4 ↓

Analogs

13127653
13127653

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Popular Name: N-[(7R)-5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acet N-[(7R)-5-(4-chlorophenyl)-7-(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) 3.37 12.75 -22.64 1 7 0 81 395.85 4 ↓
Hi High (pH 8-9.5) 3.38 13.26 -17.81 2 7 0 84 395.85 4 ↓
Mid Mid (pH 6-8) 3.37 13.09 -45.37 2 7 1 83 396.858 4 ↓

Parameters Provided:

ring.id = 114817
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 = 114817 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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