UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(2-naphthyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(2-naphthyl…

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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) 3.21 7.48 -8.57 0 4 0 48 291.232 3 ↓

Analogs

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Popular Name: 2-[1-(2-naphthyl)triazol-4-yl]propan-2-amine 2-[1-(2-naphthyl)triazol-4-yl]pr…

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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) 2.95 5.82 -54.97 3 4 1 58 253.329 2 ↓
Hi High (pH 8-9.5) 2.95 5.58 -9.76 2 4 0 57 252.321 2 ↓

Analogs

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Popular Name: 5-isopropyl-1-(2-naphthyl)triazole-4-carboxylic 5-isopropyl-1-(2-naphthyl)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) 3.61 8.39 -52.04 0 5 -1 71 280.307 3 ↓

Analogs

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Popular Name: 5-ethyl-1-(2-naphthyl)triazole-4-carboxylic 5-ethyl-1-(2-naphthyl)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) 3.13 8.16 -53.74 0 5 -1 71 266.28 3 ↓

Parameters Provided:

ring.id = 103763
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 = 103763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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