UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4S)-8-fluoro-N-(3-imidazol-1-ylpropyl)thiochroman-4-amine (4S)-8-fluoro-N-(3-imidazol-1-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) 1.36 10.03 -62.83 2 3 1 34 292.403 5 ↓
Hi High (pH 8-9.5) 1.36 8.85 -10.53 1 3 0 30 291.395 5 ↓
Mid Mid (pH 6-8) 1.36 10.54 -114.05 3 3 2 36 293.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-8-fluoro-N-(3-imidazol-1-ylpropyl)thiochroman-4-amine (4R)-8-fluoro-N-(3-imidazol-1-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) 1.36 10.03 -62.75 2 3 1 34 292.403 5 ↓
Hi High (pH 8-9.5) 1.36 9.2 -11.54 1 3 0 30 291.395 5 ↓
Mid Mid (pH 6-8) 1.36 10.54 -114.63 3 3 2 36 293.411 5 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-(3-imidazol-1-ylpropyl)thiochroman-4-amine (4R)-6-chloro-N-(3-imidazol-1-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) 1.90 10.49 -56.6 2 3 1 34 308.858 5 ↓
Hi High (pH 8-9.5) 1.90 9.68 -9.3 1 3 0 30 307.85 5 ↓
Mid Mid (pH 6-8) 1.90 11.01 -106.68 3 3 2 36 309.866 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-(3-imidazol-1-ylpropyl)thiochroman-4-amine (4S)-6-chloro-N-(3-imidazol-1-yl…

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) 1.90 10.5 -56.66 2 3 1 34 308.858 5 ↓
Hi High (pH 8-9.5) 1.90 9.31 -8.32 1 3 0 30 307.85 5 ↓
Mid Mid (pH 6-8) 1.90 11.02 -106.48 3 3 2 36 309.866 5 ↓

Parameters Provided:

ring.id = 553300
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 = 553300 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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