UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-6-fluoro-N-(thiadiazol-4-ylmethyl)thiochroman-4-amine (4R)-6-fluoro-N-(thiadiazol-4-yl…

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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) 1.67 5.89 -50.77 2 3 1 42 282.389 3 ↓
Hi High (pH 8-9.5) 1.67 5.09 -7.63 1 3 0 38 281.381 3 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-(thiadiazol-4-ylmethyl)thiochroman-4-amine (4S)-6-fluoro-N-(thiadiazol-4-yl…

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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) 1.67 5.89 -49.82 2 3 1 42 282.389 3 ↓
Hi High (pH 8-9.5) 1.67 4.73 -5.78 1 3 0 38 281.381 3 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-(thiadiazol-4-ylmethyl)thiochroman-4-amine (4R)-6-chloro-N-(thiadiazol-4-yl…

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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) 2.18 6.35 -49.91 2 3 1 42 298.844 3 ↓
Hi High (pH 8-9.5) 2.18 5.54 -7.21 1 3 0 38 297.836 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-(thiadiazol-4-ylmethyl)thiochroman-4-amine (4S)-6-chloro-N-(thiadiazol-4-yl…

Find On: PubMed — Wikipedia — Google

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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) 2.18 6.35 -49 2 3 1 42 298.844 3 ↓
Hi High (pH 8-9.5) 2.18 5.17 -5.38 1 3 0 38 297.836 3 ↓

Parameters Provided:

ring.id = 125495
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 = 125495 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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