UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38575702
38575702
38575703
38575703
38575704
38575704

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Popular Name: (2S,3S)-3-hydroxy-2-(2H-imidazol-2-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one (2S,3S)-3-hydroxy-2-(2H-imidazol…

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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) 0.27 -1.13 -11.18 2 5 0 74 261.306 1 ↓
Lo Low (pH 4.5-6) 0.27 -0.59 -44.55 3 5 1 76 262.314 1 ↓
Lo Low (pH 4.5-6) 0.27 -0.13 -44.62 3 5 1 76 262.314 1 ↓

Analogs

38575703
38575703
38575704
38575704
38575701
38575701

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-3-hydroxy-2-(2H-imidazol-2-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one (2S,3R)-3-hydroxy-2-(2H-imidazol…

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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) 0.27 -1.1 -10.98 2 5 0 74 261.306 1 ↓
Lo Low (pH 4.5-6) 0.27 -0.97 -42.42 3 5 1 76 262.314 1 ↓
Lo Low (pH 4.5-6) 0.27 -0.11 -41.25 3 5 1 76 262.314 1 ↓

Analogs

38575704
38575704
38575701
38575701
38575702
38575702

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-3-hydroxy-2-(2H-imidazol-2-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one (2R,3S)-3-hydroxy-2-(2H-imidazol…

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) 0.27 -1.95 -14.26 2 5 0 74 261.306 1 ↓
Lo Low (pH 4.5-6) 0.27 -0.17 -41.54 3 5 1 76 262.314 1 ↓
Lo Low (pH 4.5-6) 0.27 -0.95 -42.59 3 5 1 76 262.314 1 ↓

Analogs

38575701
38575701
38575702
38575702
38575703
38575703

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-hydroxy-2-(2H-imidazol-2-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one (2R,3R)-3-hydroxy-2-(2H-imidazol…

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) 0.27 -1.54 -12.65 2 5 0 74 261.306 1 ↓
Lo Low (pH 4.5-6) 0.27 -0.17 -44.78 3 5 1 76 262.314 1 ↓
Lo Low (pH 4.5-6) 0.27 -0.57 -44.59 3 5 1 76 262.314 1 ↓

Parameters Provided:

ring.id = 591899
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 = 591899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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