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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: 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) 2.98 7.04 -17.24 1 5 0 72 300.339 4 ↓
Hi High (pH 8-9.5) 3.44 4.61 -49.51 0 5 -1 75 299.331 4 ↓

Analogs

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Popular Name: 2-[(2-chloro-3,4-dimethoxy-phenyl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-chloro-3,4-dimethoxy-pheny…

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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) 3.26 6.16 -16.02 1 5 0 64 336.8 4 ↓
Hi High (pH 8-9.5) 3.72 4 -53.74 0 5 -1 67 335.792 4 ↓

Analogs

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

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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) 3.07 6.53 -14.27 1 3 0 46 278.283 2 ↓
Hi High (pH 8-9.5) 3.52 4.1 -46.84 0 3 -1 49 277.275 2 ↓

Analogs

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Popular Name: 2-(m-tolylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one 2-(m-tolylmethyl)-3H-thieno[3,2-…

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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) 3.24 7.06 -12.39 1 3 0 46 256.33 2 ↓
Hi High (pH 8-9.5) 3.69 4.63 -50.58 0 3 -1 49 255.322 2 ↓

Parameters Provided:

ring.id = 152191
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 = 152191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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