UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33368688
33368688

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Popular Name: N-[(3E,8E)-6-formamido-1-cyclodeca-3,8-dienyl]formamide N-[(3E,8E)-6-formamido-1-cyclode…

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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) 0.61 2.98 -12.81 2 4 0 58 222.288 2 ↓

Analogs

4474355
4474355

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Popular Name: (1Z,6Z)-4,4,9,9-tetramethoxycyclodeca-1,6-diene (1Z,6Z)-4,4,9,9-tetramethoxycycl…

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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) 2.32 4.92 -2.78 0 4 0 37 256.342 4 ↓

Analogs

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Popular Name: N-[(3Z,8Z)-6-acetamido-1-cyclodeca-3,8-dienyl]acetamide N-[(3Z,8Z)-6-acetamido-1-cyclode…

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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) 0.56 4.42 -12.78 2 4 0 58 250.342 2 ↓

Analogs

12409142
12409142

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Popular Name: trimethyl-[(3Z,8Z)-6-trimethylammonio-1-cyclodeca-3,8-dienyl]ammonium trimethyl-[(3Z,8Z)-6-trimethylam…

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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) -4.96 10.78 -80.7 0 2 2 0 252.446 2 ↓

Parameters Provided:

ring.id = 41219
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 = 41219 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=41219&filter.purchasability=annotated

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