UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-(5-methyl-1H-1,2,4-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) 0.89 3.08 -10.61 2 5 0 63 216.244 1 ↓

Analogs

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Popular Name: (2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-(5-methyl-1H-1,2,4-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) 0.89 3.08 -10.62 2 5 0 63 216.244 1 ↓

Analogs

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Popular Name: (2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-(5-ethyl-1H-1,2,4-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) 1.47 3.7 -10.03 2 5 0 63 230.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-(5-ethyl-1H-1,2,4-triazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.47 3.7 -9.95 2 5 0 63 230.271 2 ↓

Parameters Provided:

ring.id = 21453
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 = 21453 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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