UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[[(3S)-2,3-dihydrobenzofuran-3-yl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(3S)-2,3-dihydrobenzofuran-3…

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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) 0.22 0.24 -7.43 3 7 0 100 246.226 2 ↓
Mid Mid (pH 6-8) 0.68 -1.43 -36.7 2 7 -1 103 245.218 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3R)-2,3-dihydrobenzofuran-3-yl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(3R)-2,3-dihydrobenzofuran-3…

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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) 0.22 0.24 -7.27 3 7 0 100 246.226 2 ↓
Mid Mid (pH 6-8) 0.68 -1.43 -36.33 2 7 -1 103 245.218 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3S)-2,3-dihydrobenzofuran-3-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione 6-[[(3S)-2,3-dihydrobenzofuran-3…

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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) 0.36 3.98 -7.76 1 7 0 78 274.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3R)-2,3-dihydrobenzofuran-3-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione 6-[[(3R)-2,3-dihydrobenzofuran-3…

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) 0.36 3.97 -7.44 1 7 0 78 274.28 2 ↓

Parameters Provided:

ring.id = 528625
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 = 528625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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