UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,5R)-9,9-dioxo-9$l^{6}-thia-3-azaspiro[4.5]decane-1-carboxylic (1R,5R)-9,9-dioxo-9$l^{6}-thia-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) -0.55 1.07 -52.01 2 5 0 91 233.289 1 ↓
Hi High (pH 8-9.5) -0.55 -0.37 -46.01 1 5 -1 86 232.281 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-9,9-dioxo-9$l^{6}-thia-3-azaspiro[4.5]decane-1-carboxylic (1R,5S)-9,9-dioxo-9$l^{6}-thia-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) -0.55 1.03 -61.23 2 5 0 91 233.289 1 ↓
Hi High (pH 8-9.5) -0.55 -0.42 -52.05 1 5 -1 86 232.281 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R)-9,9-dioxo-9$l^{6}-thia-3-azaspiro[4.5]decane-1-carboxylic (1S,5R)-9,9-dioxo-9$l^{6}-thia-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) -0.55 1.03 -61.28 2 5 0 91 233.289 1 ↓
Hi High (pH 8-9.5) -0.55 -0.42 -54.49 1 5 -1 86 232.281 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5S)-9,9-dioxo-9$l^{6}-thia-3-azaspiro[4.5]decane-1-carboxylic (1S,5S)-9,9-dioxo-9$l^{6}-thia-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) -0.55 1.07 -52.01 2 5 0 91 233.289 1 ↓
Hi High (pH 8-9.5) -0.55 -0.37 -46.57 1 5 -1 86 232.281 1 ↓

Analogs

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Popular Name: (1R,5R)-1-phenyl-7$l^{6}-thia-2-azaspiro[4.5]decane (1R,5R)-1-phenyl-7$l^{6}-thia-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) 1.68 4.14 -52.87 2 3 1 51 266.386 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R)-1-phenyl-7$l^{6}-thia-2-azaspiro[4.5]decane (1S,5R)-1-phenyl-7$l^{6}-thia-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) 1.68 4.18 -50.27 2 3 1 51 266.386 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-1-phenyl-7$l^{6}-thia-2-azaspiro[4.5]decane (1R,5S)-1-phenyl-7$l^{6}-thia-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) 1.68 4.17 -50.33 2 3 1 51 266.386 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5S)-1-phenyl-7$l^{6}-thia-2-azaspiro[4.5]decane (1S,5S)-1-phenyl-7$l^{6}-thia-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) 1.68 4.13 -52.87 2 3 1 51 266.386 1 ↓

Analogs

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Popular Name: (1R,5R)-1-benzyl-7$l^{6}-thia-2-azaspiro[4.5]decane (1R,5R)-1-benzyl-7$l^{6}-thia-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) 1.89 5.1 -52.51 2 3 1 51 280.413 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R)-1-benzyl-7$l^{6}-thia-2-azaspiro[4.5]decane (1S,5R)-1-benzyl-7$l^{6}-thia-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) 1.89 5.13 -52.15 2 3 1 51 280.413 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-1-benzyl-7$l^{6}-thia-2-azaspiro[4.5]decane (1R,5S)-1-benzyl-7$l^{6}-thia-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) 1.89 5.12 -52.14 2 3 1 51 280.413 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5S)-1-benzyl-7$l^{6}-thia-2-azaspiro[4.5]decane (1S,5S)-1-benzyl-7$l^{6}-thia-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) 1.89 5.09 -52.51 2 3 1 51 280.413 2 ↓

Parameters Provided:

ring.id = 260787
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 = 260787 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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