UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,2,2-trifluoro-1-(1-tetralin-5-yltriazol-4-yl)ethanone 2,2,2-trifluoro-1-(1-tetralin-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) 3.19 7.74 -7.42 0 4 0 48 295.264 3 ↓

Analogs

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Popular Name: 2-(1-tetralin-5-yltriazol-4-yl)propan-2-amine 2-(1-tetralin-5-yltriazol-4-yl)p…

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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) 2.93 6.08 -51.87 3 4 1 58 257.361 2 ↓
Hi High (pH 8-9.5) 2.93 5.82 -8.54 2 4 0 57 256.353 2 ↓

Analogs

52221189
52221189

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Popular Name: 5-methyl-1-tetralin-5-yl-triazole-4-carboxylic 5-methyl-1-tetralin-5-yl-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) 2.53 7.82 -54.15 0 5 -1 71 256.285 2 ↓

Analogs

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Popular Name: 5-propyl-1-tetralin-5-yl-triazole-4-carboxylic 5-propyl-1-tetralin-5-yl-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) 3.61 9.32 -55.43 0 5 -1 71 284.339 4 ↓

Analogs

52221189
52221189

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Popular Name: 5-isopropyl-1-tetralin-5-yl-triazole-4-carboxylic 5-isopropyl-1-tetralin-5-yl-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) 3.59 8.78 -53.12 0 5 -1 71 284.339 3 ↓

Analogs

52221189
52221189

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Popular Name: 5-ethyl-1-tetralin-5-yl-triazole-4-carboxylic 5-ethyl-1-tetralin-5-yl-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) 3.10 8.55 -54.83 0 5 -1 71 270.312 3 ↓

Parameters Provided:

ring.id = 103751
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 = 103751 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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