UCSF
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Analogs

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Popular Name: 5-(3,5-dibromophenyl)-1,2,4-triazole-3-thione 5-(3,5-dibromophenyl)-1,2,4-tria…

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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) 3.01 6.04 -2.39 0 3 0 39 333.008 1 ↓

Analogs

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Popular Name: 5-(2-fluorophenyl)-1,2,4-triazole-3-thione 5-(2-fluorophenyl)-1,2,4-triazol…

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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) 1.58 5.06 -7.96 0 3 0 39 193.206 1 ↓

Analogs

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Popular Name: 5-(2,4-dibromophenyl)-1,2,4-triazole-3-thione 5-(2,4-dibromophenyl)-1,2,4-tria…

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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) 3.01 6.52 -3.72 0 3 0 39 333.008 1 ↓

Analogs

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Popular Name: 4-(5-thioxo-1,2,4-triazol-3-yl)benzoic 4-(5-thioxo-1,2,4-triazol-3-yl)b…

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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) 1.38 5.41 -42.06 0 5 -1 79 218.217 2 ↓

Analogs

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Popular Name: 3-(5-thioxo-1,2,4-triazol-3-yl)benzoic 3-(5-thioxo-1,2,4-triazol-3-yl)b…

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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) 1.35 5.38 -45.55 0 5 -1 79 218.217 2 ↓

Analogs

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Popular Name: 5-(3-fluorophenyl)-1,2,4-triazole-3-thione 5-(3-fluorophenyl)-1,2,4-triazol…

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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) 1.60 4.89 -5.31 0 3 0 39 193.206 1 ↓

Analogs

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Popular Name: 5-(2,4-dimethylphenyl)-1,2,4-triazole-3-thione 5-(2,4-dimethylphenyl)-1,2,4-tri…

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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) 2.29 6.66 -4.47 0 3 0 39 203.27 1 ↓

Analogs

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Popular Name: 5-(4-nitrophenyl)-1,2,4-triazole-3-thione 5-(4-nitrophenyl)-1,2,4-triazole…

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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) 1.42 5.54 -5.71 0 6 0 85 220.213 2 ↓

Analogs

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Popular Name: 5-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thione 5-(2,4-dimethoxyphenyl)-1,2,4-tr…

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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) 1.51 3.85 -8.96 0 5 0 57 235.268 3 ↓

Analogs

39396430
39396430

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Popular Name: 5-(3,5-dimethylphenyl)-1,2,4-triazole-3-thione 5-(3,5-dimethylphenyl)-1,2,4-tri…

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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) 2.29 6.15 -4.46 0 3 0 39 203.27 1 ↓

Analogs

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Popular Name: 5-[2,4-bis(trifluoromethyl)phenyl]-1,2,4-triazole-3-thione 5-[2,4-bis(trifluoromethyl)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) 3.18 7.61 -5.74 0 3 0 39 311.21 3 ↓

Analogs

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Popular Name: 2-(5-thioxo-1,2,4-triazol-3-yl)benzoic 2-(5-thioxo-1,2,4-triazol-3-yl)b…

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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) 0.99 4.96 -49.85 0 5 -1 79 218.217 2 ↓

Parameters Provided:

ring.id = 198232
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 = 198232 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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