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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: [7-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]-8-chloro-1-cyclopropyl-6-fl [7-[(3aS,6aS)-5-methyl-2,3,3a,4,…

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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) 0.71 12.88 -85.43 1 7 0 79 421.856 4 ↓
Hi High (pH 8-9.5) 0.71 10.24 -61.31 0 7 -1 78 420.848 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-[(3aR,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]-8-chloro-1-cyclopropyl-6-fl [7-[(3aR,6aS)-5-methyl-2,3,3a,4,…

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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) 0.71 12.89 -84.95 1 7 0 79 421.856 4 ↓
Hi High (pH 8-9.5) 0.71 10.29 -61.91 0 7 -1 78 420.848 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-[(3aR,6aS)-3a-chloro-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-1-cyclopropyl-6,8-difluoro- [7-[(3aR,6aS)-3a-chloro-2,3,4,5,…

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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) 0.24 10.89 -96.03 2 7 0 91 425.819 4 ↓
Mid Mid (pH 6-8) 0.24 9.46 -62.86 1 7 -1 87 424.811 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-[(3aS,6aS)-3a-chloro-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-1-cyclopropyl-6,8-difluoro- [7-[(3aS,6aS)-3a-chloro-2,3,4,5,…

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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) 0.24 10.97 -91.1 2 7 0 91 425.819 4 ↓
Mid Mid (pH 6-8) 0.24 9.53 -58.02 1 7 -1 87 424.811 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]-1-cyclopropyl-6,8-difluoro- [7-[(3aS,6aS)-5-methyl-2,3,3a,4,…

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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) 0.19 12.68 -84.3 1 7 0 79 405.401 4 ↓
Hi High (pH 8-9.5) 0.19 10.04 -60.04 0 7 -1 78 404.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-[(3aR,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]-1-cyclopropyl-6,8-difluoro- [7-[(3aR,6aS)-5-methyl-2,3,3a,4,…

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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) 0.19 12.69 -83.75 1 7 0 79 405.401 4 ↓
Hi High (pH 8-9.5) 0.19 10.09 -60.62 0 7 -1 78 404.393 4 ↓

Parameters Provided:

ring.id = 197908
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 = 197908 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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