UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13177417
13177417
13177421
13177421

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Popular Name: 3-[3-(4-ethoxyphenyl)-5-[2-[(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl]sulfanyl-1,2,4- 3-[3-(4-ethoxyphenyl)-5-[2-[(1R,…

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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) 5.96 14.79 -48.43 0 8 -1 106 488.63 12 ↓

Analogs

13177417
13177417
13177421
13177421

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(4-ethoxyphenyl)-5-[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl]sulfanyl-1,2,4- 3-[3-(4-ethoxyphenyl)-5-[2-[(1S,…

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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) 5.96 14.68 -48.58 0 8 -1 106 488.63 12 ↓

Analogs

13177417
13177417
13177421
13177421

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(4-ethoxyphenyl)-5-[2-[(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl]sulfanyl-1,2,4- 3-[3-(4-ethoxyphenyl)-5-[2-[(1R,…

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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) 5.96 14.71 -48.47 0 8 -1 106 488.63 12 ↓

Analogs

13177417
13177417
13177421
13177421

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(4-ethoxyphenyl)-5-[2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl]sulfanyl-1,2,4- 3-[3-(4-ethoxyphenyl)-5-[2-[(1S,…

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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) 5.96 14.48 -48.67 0 8 -1 106 488.63 12 ↓

Analogs

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Popular Name: 3-[3-[2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl]sulfanyl-5-(p-tolyl)-1,2,4-triazol 3-[3-[2-[(1S,2R,5R)-2-isopropyl-…

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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) 5.98 14.92 -47.97 0 7 -1 97 458.604 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl]sulfanyl-5-(p-tolyl)-1,2,4-triazol 3-[3-[2-[(1S,2R,5S)-2-isopropyl-…

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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) 5.98 15.14 -47.95 0 7 -1 97 458.604 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl]sulfanyl-5-(m-tolyl)-1,2,4-triazol 3-[3-[2-[(1S,2R,5R)-2-isopropyl-…

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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) 5.95 14.91 -48.6 0 7 -1 97 458.604 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl]sulfanyl-5-(m-tolyl)-1,2,4-triazol 3-[3-[2-[(1S,2R,5S)-2-isopropyl-…

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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) 5.95 15.13 -47.87 0 7 -1 97 458.604 10 ↓

Parameters Provided:

ring.id = 133686
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 = 133686 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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