UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11814481
11814481

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Popular Name: 4-[(6S)-6-(2-chlorophenyl)-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carbonyl]p 4-[(6S)-6-(2-chlorophenyl)-11-me…

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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) 3.23 0.57 -21.47 0 6 0 63 494.016 2 ↓

Analogs

11814480
11814480

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Popular Name: 4-[(6R)-6-(2-chlorophenyl)-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carbonyl]p 4-[(6R)-6-(2-chlorophenyl)-11-me…

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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) 3.23 0.32 -29.04 0 6 0 63 494.016 2 ↓

Analogs

11840651
11840651

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Popular Name: 4-[(6S)-6-(2,4-difluorophenyl)-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carbon 4-[(6S)-6-(2,4-difluorophenyl)-1…

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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) 2.86 2.21 -24.83 0 6 0 63 495.551 2 ↓

Analogs

11840650
11840650

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Popular Name: 4-[(6R)-6-(2,4-difluorophenyl)-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carbon 4-[(6R)-6-(2,4-difluorophenyl)-1…

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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) 2.86 1.89 -26.12 0 6 0 63 495.551 2 ↓

Analogs

12213104
12213104

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Popular Name: 4-[(6S)-6-(3,4-difluorophenyl)-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carbon 4-[(6S)-6-(3,4-difluorophenyl)-1…

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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) 2.86 2.02 -30.3 0 6 0 63 495.551 2 ↓

Analogs

12213101
12213101

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Popular Name: 4-[(6R)-6-(3,4-difluorophenyl)-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carbon 4-[(6R)-6-(3,4-difluorophenyl)-1…

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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) 2.86 1.94 -29.67 0 6 0 63 495.551 2 ↓

Parameters Provided:

ring.id = 47406
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 = 47406 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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