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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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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) 2.61 8.27 -14.17 1 7 0 80 388.493 8 ↓
Mid Mid (pH 6-8) 3.07 7.69 -46.02 0 7 -1 83 387.485 8 ↓
Mid Mid (pH 6-8) 3.07 9.81 -47.26 1 7 0 84 388.493 8 ↓

Analogs

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Popular Name: 5-[[methyl-[(1S)-1-(2-thienyl)ethyl]amino]methyl]-4H-pyrazolo[1,5-a]pyrimidin-7-one 5-[[methyl-[(1S)-1-(2-thienyl)et…

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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) 2.14 5.11 -18.38 1 5 0 53 288.376 4 ↓
Hi High (pH 8-9.5) 2.60 4.59 -45.86 0 5 -1 56 287.368 4 ↓
Lo Low (pH 4.5-6) 2.60 6.87 -51.56 1 5 0 58 288.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[methyl-[(1R)-1-(2-thienyl)ethyl]amino]methyl]-4H-pyrazolo[1,5-a]pyrimidin-7-one 5-[[methyl-[(1R)-1-(2-thienyl)et…

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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) 2.14 5.15 -15.74 1 5 0 53 288.376 4 ↓
Hi High (pH 8-9.5) 2.60 4.56 -46.2 0 5 -1 56 287.368 4 ↓
Lo Low (pH 4.5-6) 2.60 6.88 -51.32 1 5 0 58 288.376 4 ↓

Parameters Provided:

ring.id = 379851
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 = 379851 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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