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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) 2.59 6.33 -15.68 1 6 0 85 329.381 4 ↓
Mid Mid (pH 6-8) 3.05 5.05 -47.06 0 6 -1 88 328.373 4 ↓

Analogs

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Popular Name: 5-isobutyl-2-(6-methyl-2-pyridyl)-3H-thieno[2,3-d]pyrimidin-4-one 5-isobutyl-2-(6-methyl-2-pyridyl…

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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) 3.00 6.89 -14.81 1 4 0 59 299.399 3 ↓
Hi High (pH 8-9.5) 3.45 5.46 -53.02 0 4 -1 62 298.391 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.22 5.41 -16.03 1 6 0 85 315.354 3 ↓
Mid Mid (pH 6-8) 2.67 4.12 -47.12 0 6 -1 88 314.346 3 ↓

Analogs

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Popular Name: N,5-dimethyl-4-oxo-2-(2-pyridyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide N,5-dimethyl-4-oxo-2-(2-pyridyl)…

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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) 1.52 2.47 -20.78 2 6 0 88 300.343 2 ↓
Mid Mid (pH 6-8) 1.98 1.18 -51.04 1 6 -1 91 299.335 2 ↓

Parameters Provided:

ring.id = 152028
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 = 152028 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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