UCSF
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Analogs

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Popular Name: 3-[3-(2-furyl)-5-[2-oxo-2-(4-sec-butylphenyl)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide 3-[3-(2-furyl)-5-[2-oxo-2-(4-sec…

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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) 3.64 9.6 -15.87 2 7 0 104 412.515 10 ↓

Analogs

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Popular Name: 3-[3-(2-furyl)-5-[2-oxo-2-(4-sec-butylphenyl)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide 3-[3-(2-furyl)-5-[2-oxo-2-(4-sec…

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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) 3.64 9.6 -15.88 2 7 0 104 412.515 10 ↓

Analogs

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Popular Name: 3-[3-[(1R)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-5-(2-furyl)-1,2,4-triazol-4-yl]propa 3-[3-[(1R)-2-(2,5-dimethylphenyl…

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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) 2.97 8.63 -15.01 2 7 0 104 398.488 8 ↓

Analogs

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Popular Name: 3-[3-[(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-5-(2-furyl)-1,2,4-triazol-4-yl]propa 3-[3-[(1S)-2-(2,5-dimethylphenyl…

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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) 2.97 8.64 -14.91 2 7 0 104 398.488 8 ↓

Analogs

12647981
12647981

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Popular Name: 3-[3-(2-furyl)-5-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide 3-[3-(2-furyl)-5-[2-oxo-2-(2,3,5…

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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) 3.36 9.42 -16.52 2 7 0 104 412.515 8 ↓

Analogs

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Popular Name: 3-[3-[2-(2,4-diisopropylphenyl)-2-oxo-ethyl]sulfanyl-5-(2-furyl)-1,2,4-triazol-4-yl]propanamide 3-[3-[2-(2,4-diisopropylphenyl)-…

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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) 4.26 10.84 -15.24 2 7 0 104 440.569 10 ↓

Analogs

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Popular Name: 3-[3-[2-(2,5-diethylphenyl)-2-oxo-ethyl]sulfanyl-5-(2-furyl)-1,2,4-triazol-4-yl]propanamide 3-[3-[2-(2,5-diethylphenyl)-2-ox…

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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) 3.54 9.85 -15.18 2 7 0 104 412.515 10 ↓

Analogs

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Popular Name: 3-[3-[2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-5-(2-furyl)-1,2,4-triazol-4-yl]propanamide 3-[3-[2-(3-chloro-4-methoxy-phen…

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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) 2.45 6.89 -18.79 2 8 0 113 420.878 9 ↓

Analogs

6145463
6145463

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Popular Name: 1-(2,5-dimethoxyphenyl)-2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(2,5-dimethoxyphenyl)-2-[[5-(2…

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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) 3.95 11.16 -14.63 0 7 0 79 401.488 9 ↓

Analogs

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Popular Name: 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-2,5-dimethyl-phenyl)-ethanone 2-[[5-(2-furyl)-4-methyl-1,2,4-t…

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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) 3.59 2.94 -11.9 0 6 0 70 357.435 6 ↓

Parameters Provided:

ring.id = 124830
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 = 124830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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