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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 5-[[(4R)-thiazolidine-4-carbonyl]amino]pyridine-3-carboxylic 5-[[(4R)-thiazolidine-4-carbonyl…

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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) -0.26 1.2 -58.97 2 6 -1 94 252.275 3 ↓
Mid Mid (pH 6-8) -0.26 2.38 -73.95 3 6 0 99 253.283 3 ↓

Analogs

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Popular Name: 5-[[(4S)-thiazolidine-4-carbonyl]amino]pyridine-3-carboxylic 5-[[(4S)-thiazolidine-4-carbonyl…

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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) -0.26 1.03 -54 2 6 -1 94 252.275 3 ↓
Mid Mid (pH 6-8) -0.26 2.39 -74.6 3 6 0 99 253.283 3 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 1.47 5.4 -13.94 1 6 0 72 309.391 4 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 1.47 5.4 -13.74 1 6 0 72 309.391 4 ↓

Analogs

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Popular Name: (4R)-N-methyl-N-(3-pyridyl)thiazolidine-4-carboxamide (4R)-N-methyl-N-(3-pyridyl)thiaz…

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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) 0.44 2.22 -13.38 1 4 0 45 223.301 2 ↓
Mid Mid (pH 6-8) 0.44 2.96 -46.52 2 4 1 50 224.309 2 ↓

Analogs

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Popular Name: (4S)-N-methyl-N-(3-pyridyl)thiazolidine-4-carboxamide (4S)-N-methyl-N-(3-pyridyl)thiaz…

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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) 0.44 2.11 -10.36 1 4 0 45 223.301 2 ↓
Mid Mid (pH 6-8) 0.44 3.33 -44.35 2 4 1 50 224.309 2 ↓

Analogs

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Popular Name: (4S)-N-[4-(dimethylamino)-3-pyridyl]-3-(2,2-dimethylpropanoyl)thiazolidine-4-carboxamide (4S)-N-[4-(dimethylamino)-3-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) 1.49 6.91 -34.63 2 6 1 67 337.469 4 ↓
Hi High (pH 8-9.5) 1.49 6.41 -15.71 1 6 0 66 336.461 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[4-(dimethylamino)-3-pyridyl]-3-(2,2-dimethylpropanoyl)thiazolidine-4-carboxamide (4R)-N-[4-(dimethylamino)-3-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) 1.49 7.15 -35.51 2 6 1 67 337.469 4 ↓
Hi High (pH 8-9.5) 1.49 6.68 -17.27 1 6 0 66 336.461 4 ↓

Parameters Provided:

ring.id = 315817
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 = 315817 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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