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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12854350
12854350
12854359
12854359
12854365
12854365

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-butyl-5-(4-fluorophenyl)-3-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-et (5S)-5-butyl-5-(4-fluorophenyl)-…

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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) 4.86 13.13 -14.94 1 6 0 70 469.582 6 ↓

Analogs

12854359
12854359
12854365
12854365
12854345
12854345

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-butyl-5-(4-fluorophenyl)-3-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-et (5R)-5-butyl-5-(4-fluorophenyl)-…

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) 4.86 12.99 -14.56 1 6 0 70 469.582 6 ↓

Analogs

12854365
12854365
12854345
12854345
12854350
12854350

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-butyl-5-(4-fluorophenyl)-3-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-et (5S)-5-butyl-5-(4-fluorophenyl)-…

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) 4.86 13.12 -14.28 1 6 0 70 469.582 6 ↓

Analogs

12854345
12854345
12854350
12854350
12854359
12854359

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-butyl-5-(4-fluorophenyl)-3-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-et (5R)-5-butyl-5-(4-fluorophenyl)-…

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) 4.86 12.97 -15.09 1 6 0 70 469.582 6 ↓

Parameters Provided:

ring.id = 107351
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 = 107351 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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