UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(1,1-dioxidotetrahydro-3-thienyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid 1-(1,1-dioxidotetrahydro-3-thien…

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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) 0.89 -4.33 -68.61 0 6 -1 92 283.329 2 ↓

Analogs

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Popular Name: 1-(1,1-dioxidotetrahydro-3-thienyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid 1-(1,1-dioxidotetrahydro-3-thien…

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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) 0.89 -4.33 -68.55 0 6 -1 92 283.329 2 ↓

Analogs

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Popular Name: (5R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-[(3R)-1,1-dioxothiolan-3-…

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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) 1.12 -3.96 -68.92 0 6 -1 92 297.356 2 ↓

Analogs

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Popular Name: (5S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-[(3R)-1,1-dioxothiolan-3-…

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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) 1.12 -3.96 -68.86 0 6 -1 92 297.356 2 ↓

Analogs

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Popular Name: (5R)-1-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-[(3S)-1,1-dioxothiolan-3-…

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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) 1.12 -3.94 -72.4 0 6 -1 92 297.356 2 ↓

Analogs

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Popular Name: (5S)-1-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-[(3S)-1,1-dioxothiolan-3-…

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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) 1.12 -3.97 -68.84 0 6 -1 92 297.356 2 ↓

Analogs

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Popular Name: (5R)-5-tert-butyl-1-[(3R)-1,1-dioxothiolan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-5-tert-butyl-1-[(3R)-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) 2.45 -3.02 -73.35 0 6 -1 92 339.437 3 ↓

Analogs

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Popular Name: (5S)-5-tert-butyl-1-[(3R)-1,1-dioxothiolan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-5-tert-butyl-1-[(3R)-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) 2.45 -3.02 -73.22 0 6 -1 92 339.437 3 ↓

Analogs

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Popular Name: (5R)-5-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-5-tert-butyl-1-[(3S)-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) 2.45 -3.02 -73.26 0 6 -1 92 339.437 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-5-tert-butyl-1-[(3S)-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) 2.45 -3.04 -69.68 0 6 -1 92 339.437 3 ↓

Parameters Provided:

ring.id = 43484
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 = 43484 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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