UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43586089
43586089
44904891
44904891
44911438
44911438
45012759
45012759
45057246
45057246

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Popular Name: 6-(2-morpholinoethylcarbamoyl)pyridine-2-carboxylic 6-(2-morpholinoethylcarbamoyl)py…

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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) -0.52 0.93 -46.69 1 7 -1 95 278.288 5 ↓
Mid Mid (pH 6-8) -0.52 3.2 -62.55 2 7 0 96 279.296 5 ↓

Analogs

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Popular Name: 3-chloro-6-ethoxy-N-(2-methyl-2-morpholino-propyl)pyridine-2-carboxamide 3-chloro-6-ethoxy-N-(2-methyl-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) 2.44 1.82 -6.83 1 6 0 64 341.839 6 ↓
Mid Mid (pH 6-8) 2.44 3.77 -37.11 2 6 1 65 342.847 6 ↓

Analogs

37991500
37991500

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Popular Name: 4-Chloro-pyricline-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide 4-Chloro-pyricline-2-carboxylic …

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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) 0.85 0.88 -8.33 1 5 0 54 269.732 4 ↓
Mid Mid (pH 6-8) 0.85 3.15 -42.35 2 5 1 56 270.74 4 ↓

Analogs

41934208
41934208

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Popular Name: N-[(2S)-3-methyl-2-morpholino-butyl]pyridine-2-carboxamide N-[(2S)-3-methyl-2-morpholino-bu…

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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) 0.95 2.16 -8.14 1 5 0 54 277.368 5 ↓
Mid Mid (pH 6-8) 0.95 5.34 -35.31 2 5 1 56 278.376 5 ↓

Analogs

41934207
41934207

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Popular Name: N-[(2R)-3-methyl-2-morpholino-butyl]pyridine-2-carboxamide N-[(2R)-3-methyl-2-morpholino-bu…

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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) 0.95 2.2 -8.1 1 5 0 54 277.368 5 ↓
Mid Mid (pH 6-8) 0.95 5.73 -37.83 2 5 1 56 278.376 5 ↓

Parameters Provided:

ring.id = 112027
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 = 112027 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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