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

Analogs

12002901
12002901
19797473
19797473

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Popular Name: (4S)-2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (4S)-2-[3-(3,4-dihydro-1H-isoqui…

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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) 1.68 -3.49 -24.24 0 6 0 75 384.457 2 ↓

Analogs

19797473
19797473
12002895
12002895

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Popular Name: (4R)-2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (4R)-2-[3-(3,4-dihydro-1H-isoqui…

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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) 1.68 -3.48 -23.9 0 6 0 75 384.457 2 ↓

Analogs

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Popular Name: 2-[2-chloro-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[2-chloro-5-(3,4-dihydro-1H-is…

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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) 1.83 -3.83 -19.57 0 6 0 75 404.875 2 ↓

Analogs

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Popular Name: 2-[2-chloro-5-(6,7-dimethoxy3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin 2-[2-chloro-5-(6,7-dimethoxy3,4-…

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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) 1.46 -3.52 -22.82 0 8 0 93 464.927 4 ↓

Analogs

12205483
12205483
12205488
12205488

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Popular Name: 2-[4-chloro-3-(6,7-dimethoxy3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4,4-dimethyl-1,1-dioxo-1, 2-[4-chloro-3-(6,7-dimethoxy3,4-…

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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) 2.34 -3.09 -21.49 0 8 0 93 492.981 4 ↓

Analogs

12003873
12003873
12004202
12004202

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Popular Name: (4S)-2-[2-chloro-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidi (4S)-2-[2-chloro-5-(3,4-dihydro-…

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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) 2.31 -3.55 -22.65 0 6 0 75 418.902 2 ↓

Analogs

12004202
12004202
12003867
12003867

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-[2-chloro-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidi (4R)-2-[2-chloro-5-(3,4-dihydro-…

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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) 2.31 -3.57 -22.86 0 6 0 75 418.902 2 ↓

Analogs

12003867
12003867
12003873
12003873

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Popular Name: 2-[2-chloro-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin 2-[2-chloro-5-(3,4-dihydro-1H-is…

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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) 2.72 -3.13 -21.89 0 6 0 75 432.929 2 ↓

Analogs

32536958
32536958
32536959
32536959

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Popular Name: 2-[2-chloro-5-(6,7-dimethoxy3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4,4-dimethyl-1,1-dioxo-1, 2-[2-chloro-5-(6,7-dimethoxy3,4-…

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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) 2.34 -2.82 -20.3 0 8 0 93 492.981 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-chloro-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-chloro-3-(3,4-dihydro-1H-is…

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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) 1.83 -3.89 -20.07 0 6 0 75 404.875 2 ↓

Analogs

12005142
12005142
12005380
12005380

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-[4-chloro-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidi (4S)-2-[4-chloro-3-(3,4-dihydro-…

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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) 2.31 -3.84 -19.38 0 6 0 75 418.902 2 ↓

Analogs

12005380
12005380
12005137
12005137

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-[4-chloro-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidi (4R)-2-[4-chloro-3-(3,4-dihydro-…

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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) 2.31 -3.83 -18.23 0 6 0 75 418.902 2 ↓

Analogs

12005291
12005291
19797483
19797483

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-[3-(6,7-dimethoxy3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methyl-1,1-dioxo-1,2-thiazo (4R)-2-[3-(6,7-dimethoxy3,4-dihy…

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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) 1.30 -3.12 -27.43 0 8 0 93 444.509 4 ↓

Analogs

19797483
19797483
12005286
12005286

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-[3-(6,7-dimethoxy3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methyl-1,1-dioxo-1,2-thiazo (4S)-2-[3-(6,7-dimethoxy3,4-dihy…

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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) 1.30 -3.14 -27.47 0 8 0 93 444.509 4 ↓

Analogs

12005137
12005137
12005142
12005142

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-chloro-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin 2-[4-chloro-3-(3,4-dihydro-1H-is…

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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) 2.72 -3.42 -18.26 0 6 0 75 432.929 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[3-(3,4-dihydro-1H-isoquinolin…

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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) 1.20 -3.94 -24.86 0 6 0 75 370.43 2 ↓

Parameters Provided:

ring.id = 71273
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 = 71273 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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