UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

51726162
51726162

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Popular Name: cyclopropyl-(5-methyl-2-furyl)methanone cyclopropyl-(5-methyl-2-furyl)me…

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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) 1.81 5.53 -6.13 0 2 0 30 150.177 2 ↓

Analogs

43609095
43609095
43609099
43609099
43609103
43609103
51726200
51726200
51726202
51726202

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Popular Name: [(1R,2S)-2-methylcyclopropyl]-(5-methyl-2-furyl)methanone [(1R,2S)-2-methylcyclopropyl]-(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) 2.42 6.22 -5.69 0 2 0 30 164.204 2 ↓

Analogs

43609099
43609099
43609103
43609103
51726200
51726200
51726202
51726202
51726203
51726203

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Popular Name: [(1S,2S)-2-methylcyclopropyl]-(5-methyl-2-furyl)methanone [(1S,2S)-2-methylcyclopropyl]-(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) 2.42 6.2 -6.05 0 2 0 30 164.204 2 ↓

Analogs

43609103
43609103
51726200
51726200
51726202
51726202
51726203
51726203
51726205
51726205

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R)-2-methylcyclopropyl]-(5-methyl-2-furyl)methanone [(1R,2R)-2-methylcyclopropyl]-(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) 2.42 6.2 -6.07 0 2 0 30 164.204 2 ↓

Analogs

51726200
51726200
51726202
51726202
51726203
51726203
51726205
51726205
43609091
43609091

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Popular Name: [(1S,2R)-2-methylcyclopropyl]-(5-methyl-2-furyl)methanone [(1S,2R)-2-methylcyclopropyl]-(5…

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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) 2.42 6.22 -5.75 0 2 0 30 164.204 2 ↓

Parameters Provided:

ring.id = 2208
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 = 2208 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2208&filter.purchasability=annotated

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