UCSF
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Analogs

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Popular Name: 2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylic 2-[[4-(2-furylmethyl)-5-phenyl-1…

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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) 3.67 10.61 -57.57 0 7 -1 97 377.405 6 ↓

Analogs

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Popular Name: 2-[[5-(4-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylic 2-[[5-(4-chlorophenyl)-4-(2-fury…

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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) 4.35 11.13 -54.71 0 7 -1 97 411.85 6 ↓

Analogs

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Popular Name: 2-[[4-(2-furylmethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylic 2-[[4-(2-furylmethyl)-5-(m-tolyl…

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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) 4.09 11.28 -57.55 0 7 -1 97 391.432 6 ↓

Analogs

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Popular Name: 2-[[4-(2-furylmethyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylic 2-[[4-(2-furylmethyl)-5-(2-metho…

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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) 3.68 10.2 -60.85 0 8 -1 106 407.431 7 ↓

Analogs

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Popular Name: 2-[[5-(4-tert-butylphenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylic 2-[[5-(4-tert-butylphenyl)-4-(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) 5.37 12.93 -56.32 0 7 -1 97 433.513 7 ↓

Analogs

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Popular Name: 2-[[4-(2-furylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylic 2-[[4-(2-furylmethyl)-5-(3-metho…

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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) 3.70 9.91 -56.95 0 8 -1 106 407.431 7 ↓

Analogs

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Popular Name: 2-[[5-(2,4-dichlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylic 2-[[5-(2,4-dichlorophenyl)-4-(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) 4.95 11.82 -55.44 0 7 -1 97 446.295 6 ↓

Analogs

25512913
25512913
25523079
25523079

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Popular Name: 2-[[5-(2,4-dichlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine 2-[[5-(2,4-dichlorophenyl)-4-(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) 5.56 12.27 -18.78 0 8 0 103 448.291 6 ↓

Parameters Provided:

ring.id = 131503
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 = 131503 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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