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

Analogs

11982970
11982970
11982973
11982973
11982975
11982975

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Popular Name: (6S)-N-[(2R)-2-hydroxypropyl]-11-methyl-9-oxo-6-phenyl-2-(trifluoromethyl)-6,7-dihydropyrido[2,1-d][ (6S)-N-[(2R)-2-hydroxypropyl]-11…

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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) 4.37 -0.45 -18.89 2 5 0 71 488.531 5 ↓

Analogs

11982973
11982973
11982975
11982975
11982966
11982966

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Popular Name: (6S)-N-[(2S)-2-hydroxypropyl]-11-methyl-9-oxo-6-phenyl-2-(trifluoromethyl)-6,7-dihydropyrido[2,1-d][ (6S)-N-[(2S)-2-hydroxypropyl]-11…

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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) 4.37 -0.44 -19.86 2 5 0 71 488.531 5 ↓

Analogs

11982975
11982975
11982966
11982966
11982970
11982970

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(2R)-2-hydroxypropyl]-11-methyl-9-oxo-6-phenyl-2-(trifluoromethyl)-6,7-dihydropyrido[2,1-d][ (6R)-N-[(2R)-2-hydroxypropyl]-11…

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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) 4.37 -0.94 -18.92 2 5 0 71 488.531 5 ↓

Analogs

11982966
11982966
11982970
11982970
11982973
11982973

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(2S)-2-hydroxypropyl]-11-methyl-9-oxo-6-phenyl-2-(trifluoromethyl)-6,7-dihydropyrido[2,1-d][ (6R)-N-[(2S)-2-hydroxypropyl]-11…

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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) 4.37 -0.92 -18.28 2 5 0 71 488.531 5 ↓

Analogs

12000593
12000593
12455706
12455706
12455709
12455709

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Popular Name: (6S)-3-chloro-N-ethyl-6-(2-methoxyphenyl)-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiazepi (6S)-3-chloro-N-ethyl-6-(2-metho…

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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) 4.59 -0.05 -19.53 1 5 0 60 454.979 4 ↓

Analogs

12455706
12455706
12455709
12455709
12000588
12000588

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-3-chloro-N-ethyl-6-(2-methoxyphenyl)-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiazepi (6R)-3-chloro-N-ethyl-6-(2-metho…

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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) 4.59 -0.37 -19.68 1 5 0 60 454.979 4 ↓

Analogs

12217316
12217316

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Popular Name: (6S)-N,N,11-trimethyl-9-oxo-6-phenyl-2-(trifluoromethyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin (6S)-N,N,11-trimethyl-9-oxo-6-ph…

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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) 4.41 3.83 -18.7 0 4 0 42 458.505 3 ↓

Analogs

12217315
12217315

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Popular Name: (6R)-N,N,11-trimethyl-9-oxo-6-phenyl-2-(trifluoromethyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin (6R)-N,N,11-trimethyl-9-oxo-6-ph…

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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) 4.41 3.52 -18.66 0 4 0 42 458.505 3 ↓

Analogs

12218456
12218456

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N,N-diallyl-3-chloro-6-(2-fluorophenyl)-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiaz (6S)-N,N-diallyl-3-chloro-6-(2-f…

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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) 5.38 3.51 -14.77 0 4 0 42 495.019 6 ↓

Analogs

12218455
12218455

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N,N-diallyl-3-chloro-6-(2-fluorophenyl)-11-methyl-9-oxo-6,7-dihydropyrido[2,1-d][1,5]benzothiaz (6R)-N,N-diallyl-3-chloro-6-(2-f…

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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) 5.38 3.5 -23.02 0 4 0 42 495.019 6 ↓

Parameters Provided:

ring.id = 64703
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 = 64703 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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