UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-3-methyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1,2,5-thiadiazo…

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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) 0.20 2.97 -45.96 0 6 -1 86 240.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1,2,5-thiadiazo…

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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) 0.20 3.08 -49.44 0 6 -1 86 240.264 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1,2,5-thiadiazol…

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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) 0.53 3.53 -42.8 0 6 -1 86 254.291 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1,2,5-thiadiazol…

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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) 0.53 3.57 -48.9 0 6 -1 86 254.291 3 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(1,2,5-thiadiazo…

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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) 1.09 4.29 -43.14 0 6 -1 86 268.318 4 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(1,2,5-thiadiazo…

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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) 1.09 4.33 -49.28 0 6 -1 86 268.318 4 ↓

Analogs

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Popular Name: (2R)-1-(1,2,5-thiadiazole-3-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2R)-1-(1,2,5-thiadiazole-3-carb…

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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) 0.63 1.68 -11.52 1 6 0 75 308.285 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(1,2,5-thiadiazole-3-carbonyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2S)-1-(1,2,5-thiadiazole-3-carb…

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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) 0.63 1.65 -11.49 1 6 0 75 308.285 4 ↓

Analogs

42434290
42434290

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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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) -0.04 1.07 -7.88 1 5 0 66 213.262 2 ↓

Analogs

42434289
42434289

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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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) -0.04 1.06 -7.92 1 5 0 66 213.262 2 ↓

Parameters Provided:

ring.id = 307488
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 = 307488 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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