UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(3R)-dithiolan-3-yl]-N-[4-(4-methanesulfonamidophenyl)thiazol-2-yl]pentanamide 5-[(3R)-dithiolan-3-yl]-N-[4-(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) 3.77 8.52 -23.69 2 6 0 88 457.668 9 ↓
Mid Mid (pH 6-8) 3.77 8.59 -50.06 1 6 -1 90 456.66 9 ↓

Analogs

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Popular Name: 5-[(3S)-dithiolan-3-yl]-N-[4-(4-methanesulfonamidophenyl)thiazol-2-yl]pentanamide 5-[(3S)-dithiolan-3-yl]-N-[4-(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) 3.77 8.59 -23.45 2 6 0 88 457.668 9 ↓
Mid Mid (pH 6-8) 3.77 8.67 -49.19 1 6 -1 90 456.66 9 ↓

Analogs

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Popular Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-5-[(3R)-dithiolan-3-yl]pentanamide N-[4-(2,5-dimethoxyphenyl)thiazo…

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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) 4.58 10.94 -18.58 1 5 0 60 424.613 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-5-[(3S)-dithiolan-3-yl]pentanamide N-[4-(2,5-dimethoxyphenyl)thiazo…

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) 4.58 10.93 -17.77 1 5 0 60 424.613 9 ↓

Parameters Provided:

ring.id = 107897
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 = 107897 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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