UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-3-[[1-(3,3-dimethylbutyl)-4-piperidyl]methyl]-4-ethyl-3H-1,2,4-triazol-5-one (3S)-3-[[1-(3,3-dimethylbutyl)-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) 2.54 9.35 -46.66 2 5 1 55 295.451 6 ↓

Analogs

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Popular Name: 4-ethyl-2-(2-ethylsulfanylethyl)-5-(4-piperidylmethyl)-1,2,4-triazol-3-one 4-ethyl-2-(2-ethylsulfanylethyl)…

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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) 0.94 8.72 -49.99 2 5 1 56 299.464 7 ↓

Analogs

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Popular Name: 4-ethyl-2-(2-hydroxyethyl)-5-(4-piperidylmethyl)-1,2,4-triazol-3-one 4-ethyl-2-(2-hydroxyethyl)-5-(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) -0.59 3.32 -50.19 3 6 1 77 255.342 5 ↓

Analogs

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Popular Name: 3,5-dimethylphenyl 3,5-dinitrobenzoate 3,5-dimethylphenyl 3,5-dinitrobe…

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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 9.1 -51.9 2 5 1 56 299.414 8 ↓

Parameters Provided:

ring.id = 400956
filter.purchasability = annotated
page.format = targets
page.num = 1
VisitorId = 228dcd99-4b4a-4726-b938-7189ea41c47c

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 = 400956 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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