UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) -0.37 -1.36 -16.07 1 6 0 89 255.299 2 ↓

Analogs

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

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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) -0.37 -1.39 -19.54 1 6 0 89 255.299 2 ↓

Analogs

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Popular Name: 5-methyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]pyrazine-2-carboxamide 5-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) -0.15 -0.83 -14.59 1 6 0 89 269.326 2 ↓

Analogs

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Popular Name: 5-methyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]pyrazine-2-carboxamide 5-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) -0.15 -0.78 -15.09 1 6 0 89 269.326 2 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazine-2-carboxamide N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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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) -0.59 -1.26 -17.2 1 6 0 89 255.299 2 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazine-2-carboxamide N-[(3S)-1,1-dioxothiolan-3-yl]-5…

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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) -0.59 -1.25 -17.21 1 6 0 89 255.299 2 ↓

Analogs

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Popular Name: 3-amino-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazine-2-carboxamide 3-amino-N-[(3R)-1,1-dioxothiolan…

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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) -1.21 -2.91 -15.76 3 7 0 115 256.287 2 ↓

Analogs

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Popular Name: 3-amino-N-[(3S)-1,1-dioxothiolan-3-yl]pyrazine-2-carboxamide 3-amino-N-[(3S)-1,1-dioxothiolan…

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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) -1.21 -2.9 -15.76 3 7 0 115 256.287 2 ↓

Analogs

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Popular Name: N-allyl-N-[(3R)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazine-2-carboxamide N-allyl-N-[(3R)-1,1-dioxothiolan…

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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) 0.29 2.9 -16.4 0 6 0 80 295.364 4 ↓

Analogs

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Popular Name: N-allyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazine-2-carboxamide N-allyl-N-[(3S)-1,1-dioxothiolan…

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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) 0.29 2.88 -17.66 0 6 0 80 295.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazine-2-carboxamide N-allyl-N-[(3R)-1,1-dioxothiolan…

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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) 0.07 2.37 -16.43 0 6 0 80 281.337 4 ↓

Analogs

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Popular Name: N-allyl-N-[(3S)-1,1-dioxothiolan-3-yl]pyrazine-2-carboxamide N-allyl-N-[(3S)-1,1-dioxothiolan…

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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) 0.07 2.35 -18.35 0 6 0 80 281.337 4 ↓

Parameters Provided:

ring.id = 118866
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 = 118866 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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