UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7096438
7096438
7340012
7340012

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Popular Name: N-(2-cyclohexylethyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide N-(2-cyclohexylethyl)-2-(1-pheny…

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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) 3.36 8.11 -11.22 1 6 0 73 345.472 7 ↓

Analogs

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Popular Name: N-(2-cyclohexylethyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide N-(2-cyclohexylethyl)-2-[1-(2-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) 3.58 7.6 -14.28 1 7 0 82 375.498 8 ↓

Analogs

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Popular Name: N-(2-cyclohexylethyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-acetamide N-(2-cyclohexylethyl)-2-[1-(4-hy…

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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) 2.88 5.26 -11.66 2 7 0 93 361.471 7 ↓
Hi High (pH 8-9.5) 2.88 6.02 -42.73 1 7 -1 96 360.463 7 ↓

Analogs

25538064
25538064

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Popular Name: N-(2-cyclohexylethyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide N-(2-cyclohexylethyl)-2-[1-(2,6-…

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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) 4.58 9.39 -11.42 1 6 0 73 373.526 7 ↓

Parameters Provided:

ring.id = 41596
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 = 41596 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=41596&filter.purchasability=annotated

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