UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,2,2-trifluoro-1-(1-indan-5-yltriazol-4-yl)ethanone 2,2,2-trifluoro-1-(1-indan-5-ylt…

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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) 2.44 7.13 -7.63 0 4 0 48 281.237 3 ↓

Analogs

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Popular Name: 2-(1-indan-5-yltriazol-4-yl)propan-2-amine 2-(1-indan-5-yltriazol-4-yl)prop…

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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) 2.19 5.46 -53.43 3 4 1 58 243.334 2 ↓
Hi High (pH 8-9.5) 2.19 5.2 -8.86 2 4 0 57 242.326 2 ↓

Analogs

52221275
52221275

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Popular Name: 1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid 1-(2,3-dihydro-1H-inden-5-yl)-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) 1.79 7.11 -52.4 0 5 -1 71 242.258 2 ↓

Analogs

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Popular Name: 5-tert-butyl-1-indan-5-yl-triazole-4-carboxylic 5-tert-butyl-1-indan-5-yl-triazo…

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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) 3.51 8.32 -53.27 0 5 -1 71 284.339 3 ↓

Analogs

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Popular Name: 1-indan-5-yl-5-propyl-triazole-4-carboxylic 1-indan-5-yl-5-propyl-triazole-4…

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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) 2.87 8.58 -53.48 0 5 -1 71 270.312 4 ↓

Analogs

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Popular Name: 1-indan-5-yl-5-isopropyl-triazole-4-carboxylic 1-indan-5-yl-5-isopropyl-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) 2.85 8.04 -51.37 0 5 -1 71 270.312 3 ↓

Parameters Provided:

ring.id = 103768
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 = 103768 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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