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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11997379
11997379
11998325
11998325
11998327
11998327
15885396
15885396
16695970
16695970

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Popular Name: 2-[4-[[(2R,6R)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-[[(2R,6R)-2,6-dimethyl-1-pi…

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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) 1.75 -6.81 -20.88 0 7 0 92 386.495 3 ↓

Analogs

11998325
11998325
11998327
11998327
15885396
15885396
16695970
16695970
16695975
16695975

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Popular Name: 2-[4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-[[(2S,6S)-2,6-dimethyl-1-pi…

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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) 1.75 -7.03 -21.08 0 7 0 92 386.495 3 ↓

Analogs

11998405
11998405
11998408
11998408
16695978
16695978

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Popular Name: 2-[4-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-[[(3S,5R)-3,5-dimethyl-1-pi…

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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) 1.81 -7.37 -21.3 0 7 0 92 386.495 3 ↓

Analogs

16679964
16679964

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Popular Name: ethyl ethyl

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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) 1.19 -6.64 -25.63 0 9 0 118 430.504 6 ↓

Analogs

11997399
11997399
16679955
16679955

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Popular Name: ethyl ethyl

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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) 1.19 -6.91 -24.42 0 9 0 118 430.504 6 ↓

Analogs

16679955
16679955
11997397
11997397

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Popular Name: ethyl ethyl

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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) 1.19 -6.92 -24.1 0 9 0 118 430.504 6 ↓

Analogs

11904847
11904847
11904848
11904848

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Popular Name: 4,4-dimethyl-2-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 4,4-dimethyl-2-[4-[(4-methyl-1-p…

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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) 2.22 -6.95 -18.82 0 7 0 92 400.522 3 ↓

Analogs

11998011
11998011
16679961
16679961
16679962
16679962
16679964
16679964
16700591
16700591

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Popular Name: (4R)-4-methyl-2-[3-methyl-4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (4R)-4-methyl-2-[3-methyl-4-[(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) 2.18 -6.76 -19.7 0 7 0 92 400.522 3 ↓

Analogs

16679961
16679961
16679962
16679962
16700591
16700591
16700593
16700593
16700595
16700595

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Popular Name: (4S)-4-methyl-2-[3-methyl-4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (4S)-4-methyl-2-[3-methyl-4-[(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) 2.18 -6.98 -20.12 0 7 0 92 400.522 3 ↓

Analogs

11998327
11998327
15885396
15885396
16695970
16695970
16695975
16695975
16695976
16695976

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Popular Name: 2-[4-[[(2R)-2-ethyl-1-piperidyl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-[[(2R)-2-ethyl-1-piperidyl]…

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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) 1.96 -7.19 -21.17 0 7 0 92 386.495 4 ↓

Analogs

15885396
15885396
11997373
11997373
11997379
11997379
11998325
11998325

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Popular Name: 2-[4-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-[[(2S)-2-ethyl-1-piperidyl]…

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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) 1.96 -7.22 -21.11 0 7 0 92 386.495 4 ↓

Analogs

11998408
11998408
16695978
16695978
11997382
11997382

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Popular Name: 2-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-[[(3R)-3-methyl-1-piperidyl…

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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) 1.33 -7.73 -21.1 0 7 0 92 372.468 3 ↓

Analogs

16695978
16695978
11997382
11997382
11998405
11998405

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-[[(3S)-3-methyl-1-piperidyl…

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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) 1.33 -7.72 -21.15 0 7 0 92 372.468 3 ↓

Analogs

13721679
13721679
13721682
13721682

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Popular Name: ethyl ethyl

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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) 1.67 4.29 -22.69 0 9 0 118 444.531 6 ↓

Analogs

13721679
13721679
13721682
13721682

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Popular Name: ethyl ethyl

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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) 1.67 4.3 -22.7 0 9 0 118 444.531 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.04 4.69 -23.17 0 9 0 118 458.558 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.04 4.77 -23.26 0 9 0 118 458.558 6 ↓

Parameters Provided:

ring.id = 68377
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 = 68377 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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