UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44626459
44626459
44626461
44626461
12950526
12950526
12950529
12950529
19370743
19370743

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Popular Name: (7aS)-2-cyclohexyl-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-dione (7aS)-2-cyclohexyl-5,6,7,7a-tetr…

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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) 1.72 5.39 -8.73 0 4 0 41 222.288 1 ↓

Analogs

12950526
12950526
12950529
12950529
19370743
19370743

Draw Identity 99% 90% 80% 70%

Popular Name: (7aR)-2-cyclohexyl-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-dione (7aR)-2-cyclohexyl-5,6,7,7a-tetr…

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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) 1.72 5.32 -8.98 0 4 0 41 222.288 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7aR)-2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-dione (6R,7aR)-2-cyclohexyl-6-methoxy-…

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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) 1.42 4.37 -10.16 0 5 0 50 252.314 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7aR)-2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-dione (6S,7aR)-2-cyclohexyl-6-methoxy-…

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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) 1.42 4.38 -7.52 0 5 0 50 252.314 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7aS)-2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-dione (6R,7aS)-2-cyclohexyl-6-methoxy-…

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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) 1.42 4.28 -7.25 0 5 0 50 252.314 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,7aS)-2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-dione (6S,7aS)-2-cyclohexyl-6-methoxy-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.42 4.37 -10.15 0 5 0 50 252.314 2 ↓

Parameters Provided:

ring.id = 111484
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 = 111484 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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