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

Analogs

14233283
14233283
14233287
14233287
14233291
14233291
16709864
16709864
16709865
16709865

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Popular Name: (3R)-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamid (3R)-N-[(1R)-1-(3,4-dichlorophen…

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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) 3.41 7.81 -25.55 1 6 0 79 466.39 4 ↓

Analogs

14233287
14233287
14233291
14233291
14233279
14233279

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Popular Name: (3R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamid (3R)-N-[(1S)-1-(3,4-dichlorophen…

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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) 3.41 7.8 -26.23 1 6 0 79 466.39 4 ↓

Analogs

14233291
14233291
14233279
14233279
14233283
14233283

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamid (3S)-N-[(1R)-1-(3,4-dichlorophen…

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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) 3.41 7.74 -28.74 1 6 0 79 466.39 4 ↓

Analogs

14233279
14233279
14233283
14233283

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamid (3S)-N-[(1S)-1-(3,4-dichlorophen…

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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) 3.41 7.74 -26.97 1 6 0 79 466.39 4 ↓

Analogs

14246317
14246317
14246318
14246318
14246319
14246319

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Popular Name: (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carbox (3R)-1-(1,1-dioxo-1,2-benzothiaz…

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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) 0.99 4.39 -33.83 1 8 0 113 475.592 5 ↓

Analogs

14246318
14246318
14246319
14246319
14246316
14246316

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carbox (3R)-1-(1,1-dioxo-1,2-benzothiaz…

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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) 0.99 4.39 -32.78 1 8 0 113 475.592 5 ↓

Analogs

14246319
14246319
14246316
14246316
14246317
14246317

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carbox (3S)-1-(1,1-dioxo-1,2-benzothiaz…

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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) 0.99 4.3 -36.22 1 8 0 113 475.592 5 ↓

Analogs

14246316
14246316
14246317
14246317
14246318
14246318

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carbox (3S)-1-(1,1-dioxo-1,2-benzothiaz…

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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) 0.99 4.3 -36.18 1 8 0 113 475.592 5 ↓

Parameters Provided:

ring.id = 234520
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 = 234520 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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