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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: 2-chloro-N-(2,5-dimethylphenyl)-4-nitrobenzamide 2-chloro-N-(2,5-dimethylphenyl)-…

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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) 1.58 8.28 -91.09 5 6 2 85 360.531 8 ↓
Hi High (pH 8-9.5) 1.58 7.54 -13.91 3 6 0 82 358.515 8 ↓
Mid Mid (pH 6-8) 1.58 7.93 -55.31 4 6 1 83 359.523 8 ↓

Analogs

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Popular Name: N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine N-[(2S)-2-methyl-3-(2-methylimid…

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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) 1.79 8.92 -37.69 2 5 1 57 288.4 5 ↓
Mid Mid (pH 6-8) 1.79 8.44 -12.71 1 5 0 56 287.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine N-[(2R)-2-methyl-3-(2-methylimid…

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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) 1.79 9 -37.79 2 5 1 57 288.4 5 ↓
Mid Mid (pH 6-8) 1.79 8.53 -12.72 1 5 0 56 287.392 5 ↓

Parameters Provided:

ring.id = 31678
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 = 31678 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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