UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44882908
44882908
44882911
44882911
45059588
45059588
45059589
45059589

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Popular Name: 6-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]pyridine-2-carboxylic 6-[[(3R)-1,1-dioxothiolan-3-yl]c…

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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) -0.88 0.55 -52.4 1 7 -1 116 283.285 3 ↓

Analogs

44882908
44882908
44882911
44882911

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]pyridine-2-carboxylic 6-[[(3S)-1,1-dioxothiolan-3-yl]c…

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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) -0.88 0.56 -53.09 1 7 -1 116 283.285 3 ↓

Analogs

44882896
44882896
44882899
44882899

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Popular Name: 6-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]-2-methyl-pyridine-3-carboxylic 6-[[(3R)-1,1-dioxothiolan-3-yl]-…

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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) -0.31 3.47 -51.14 0 7 -1 107 311.339 3 ↓

Analogs

44882896
44882896
44882899
44882899

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]-2-methyl-pyridine-3-carboxylic 6-[[(3S)-1,1-dioxothiolan-3-yl]-…

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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) -0.31 3.48 -50.74 0 7 -1 107 311.339 3 ↓

Analogs

44882908
44882908
44882911
44882911

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]pyridine-2-carboxylic 6-[[(3R)-1,1-dioxothiolan-3-yl]-…

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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 2.86 -52.24 0 7 -1 107 297.312 3 ↓

Analogs

44882908
44882908
44882911
44882911

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]pyridine-2-carboxylic 6-[[(3S)-1,1-dioxothiolan-3-yl]-…

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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 2.87 -51.63 0 7 -1 107 297.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-butyl-N-ethyl-N-[(3R,4R)-4-hydroxy-1,1-dioxo-thiolan-3-yl]pyridine-2-carboxamide 5-butyl-N-ethyl-N-[(3R,4R)-4-hyd…

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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) 1.05 4.54 -14.47 1 6 0 88 340.445 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethoxy-pyridine-2-carboxamide 3-chloro-N-[(3R)-1,1-dioxothiola…

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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) 1.27 0.01 -14.86 1 6 0 85 318.782 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-6-ethoxy-pyridine-2-carboxamide 3-chloro-N-[(3S)-1,1-dioxothiola…

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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) 1.27 0.02 -14.37 1 6 0 85 318.782 4 ↓

Parameters Provided:

ring.id = 111930
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 = 111930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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