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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)cyclopropanecarboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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) 3.29 6.68 -8.19 1 3 0 42 250.367 2 ↓

Analogs

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Popular Name: (1S,2R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1S,2R)-N-(4,5,6,7,8,9-hexahydro…

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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) 3.90 7.71 -11.92 1 3 0 42 264.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1S,2S)-N-(4,5,6,7,8,9-hexahydro…

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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) 3.90 7.66 -12.59 1 3 0 42 264.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1R,2R)-N-(4,5,6,7,8,9-hexahydro…

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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) 3.90 7.67 -12.6 1 3 0 42 264.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1R,2S)-N-(4,5,6,7,8,9-hexahydro…

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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) 3.90 7.71 -11.92 1 3 0 42 264.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-nitro-cyclopropanecarboxamide (1R,2S)-N-(4,5,6,7,8,9-hexahydro…

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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) 2.80 8.05 -17.4 1 6 0 88 295.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-nitro-cyclopropanecarboxamide (1S,2S)-N-(4,5,6,7,8,9-hexahydro…

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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) 2.80 7.08 -10.6 1 6 0 88 295.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-nitro-cyclopropanecarboxamide (1R,2R)-N-(4,5,6,7,8,9-hexahydro…

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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) 2.80 7.08 -10.66 1 6 0 88 295.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-nitro-cyclopropanecarboxamide (1S,2R)-N-(4,5,6,7,8,9-hexahydro…

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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) 2.80 8.05 -17.43 1 6 0 88 295.364 3 ↓

Parameters Provided:

ring.id = 541436
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 = 541436 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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