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

Analogs

41539093
41539093
41539710
41539710
41539714
41539714

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-1-methyl-2-(2-pyridyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2S)-4-hydroxy-1-methyl-2-(2-pyr…

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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) 0.03 5.16 -64.21 0 7 -1 91 325.348 3 ↓
Mid Mid (pH 6-8) 0.03 4.9 -58.97 1 7 0 92 326.356 3 ↓
Lo Low (pH 4.5-6) 0.03 4.15 -42.2 2 7 1 90 327.364 3 ↓

Analogs

41539710
41539710
41539714
41539714
41539089
41539089

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-1-methyl-2-(2-pyridyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2R)-4-hydroxy-1-methyl-2-(2-pyr…

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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) 0.03 5.13 -63.49 0 7 -1 91 325.348 3 ↓
Mid Mid (pH 6-8) 0.03 4.88 -57.31 1 7 0 92 326.356 3 ↓
Lo Low (pH 4.5-6) 0.03 4.12 -41.61 2 7 1 90 327.364 3 ↓

Analogs

41539401
41539401

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-1-(2-methoxyethyl)-2-(2-pyridyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-o (2S)-4-hydroxy-1-(2-methoxyethyl…

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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) 0.01 4.66 -58.58 0 8 -1 100 369.401 6 ↓
Lo Low (pH 4.5-6) 0.01 5 -56.98 1 8 0 102 370.409 6 ↓
Lo Low (pH 4.5-6) 0.01 4.26 -39.47 2 8 1 99 371.417 6 ↓

Analogs

41539397
41539397

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-1-(2-methoxyethyl)-2-(2-pyridyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-o (2R)-4-hydroxy-1-(2-methoxyethyl…

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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) 0.01 4.23 -62.41 0 8 -1 100 369.401 6 ↓
Lo Low (pH 4.5-6) 0.01 4.69 -49.11 1 8 0 102 370.409 6 ↓
Lo Low (pH 4.5-6) 0.01 3.94 -37.21 2 8 1 99 371.417 6 ↓

Analogs

41539714
41539714
41539089
41539089
41539093
41539093

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-ethyl-4-hydroxy-2-(2-pyridyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2S)-1-ethyl-4-hydroxy-2-(2-pyri…

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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) 0.40 5.37 -59.9 0 7 -1 91 339.375 4 ↓
Mid Mid (pH 6-8) 0.40 5.88 -58.54 1 7 0 92 340.383 4 ↓
Lo Low (pH 4.5-6) 0.40 5.13 -41.87 2 7 1 90 341.391 4 ↓

Analogs

41539089
41539089
41539093
41539093
41539710
41539710

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-ethyl-4-hydroxy-2-(2-pyridyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol-5-one (2R)-1-ethyl-4-hydroxy-2-(2-pyri…

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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) 0.40 4.87 -67.32 0 7 -1 91 339.375 4 ↓
Mid Mid (pH 6-8) 0.40 5.5 -59.39 1 7 0 92 340.383 4 ↓
Lo Low (pH 4.5-6) 0.40 4.76 -42.64 2 7 1 90 341.391 4 ↓

Parameters Provided:

ring.id = 546130
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 = 546130 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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