UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: O1-[(3aR,5R,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5- O1-[(3aR,5R,5aS,8aR,9S,9aS)-5,8a…

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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) 1.79 17.44 -34.81 0 10 0 139 620.695 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: O1-[(3aR,5S,5aS,8aS,9R,9aS)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5- O1-[(3aR,5S,5aS,8aS,9R,9aS)-5,8a…

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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) 1.79 17.35 -37.38 0 10 0 139 620.695 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: O1-[(3aS,5R,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5- O1-[(3aS,5R,5aS,8aR,9S,9aS)-5,8a…

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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) 1.79 17.58 -33.99 0 10 0 139 620.695 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: O1-[(3aR,5S,5aS,8aS,9R,9aS)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5- O1-[(3aR,5S,5aS,8aS,9R,9aS)-5,8a…

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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) 1.79 17.7 -33.34 0 10 0 139 620.695 8 ↓

Analogs

16998432
16998432
26488375
26488375
5045505
5045505
5045506
5045506
5045507
5045507

Draw Identity 99% 90% 80% 70%

Popular Name: DNC006363 DNC006363

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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) 2.46 11.16 -10.78 0 5 0 70 346.423 4 ↓

Analogs

16998432
16998432
26488375
26488375
5045505
5045505
5045506
5045506
5045507
5045507

Draw Identity 99% 90% 80% 70%

Popular Name: DNC006363 DNC006363

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) 2.46 11.16 -10.42 0 5 0 70 346.423 4 ↓

Parameters Provided:

ring.id = 40202
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 = 40202 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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