UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-thiazole-4-carboxamide N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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) 0.06 0.99 -17.4 0 5 0 67 260.34 2 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-thiazole-4-carboxamide N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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) 0.06 1 -16.4 0 5 0 67 260.34 2 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)thiazole-4-carboxamide N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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) 0.05 2.14 -16.51 0 6 0 77 304.393 5 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)thiazole-4-carboxamide N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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) 0.05 2.09 -19.04 0 6 0 77 304.393 5 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)thiazole-4-carboxamide N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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) -0.57 -0.99 -17.2 1 6 0 88 290.366 4 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)thiazole-4-carboxamide N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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) -0.57 -0.97 -17.83 1 6 0 88 290.366 4 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-thiazole-4-carboxamide N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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) 0.22 2.81 -16.33 0 5 0 67 284.362 3 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-thiazole-4-carboxamide N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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) 0.22 2.78 -18.74 0 5 0 67 284.362 3 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-methyl-thiazole-4-carboxamide N-[(3R)-1,1-dioxothiolan-3-yl]-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) -0.46 -0.65 -15.73 1 5 0 76 260.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-methyl-thiazole-4-carboxamide N-[(3S)-1,1-dioxothiolan-3-yl]-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) -0.46 -0.64 -15.33 1 5 0 76 260.34 2 ↓

Analogs

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Popular Name: 2-methyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]thiazole-4-carboxamide 2-methyl-N-[(3R)-3-methyl-1,1-di…

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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) -0.02 -0.14 -14.95 1 5 0 76 274.367 2 ↓

Analogs

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Popular Name: 2-methyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]thiazole-4-carboxamide 2-methyl-N-[(3S)-3-methyl-1,1-di…

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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) -0.02 -0.19 -14.18 1 5 0 76 274.367 2 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-thiazole-4-carboxamide N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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) -0.22 1.72 -16.67 0 5 0 67 274.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-thiazole-4-carboxamide N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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) -0.22 1.74 -16.06 0 5 0 67 274.367 2 ↓

Parameters Provided:

ring.id = 265780
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 = 265780 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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