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

Analogs

20892172
20892172
22512534
22512534
22512539
22512539
24579074
24579074
24579080
24579080

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[(2R)-2-ethyl-1-piperidyl]hexan-1-one 6-[(1,1-dioxo-1,2-benzothiazol-3…

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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 7.32 -22.64 1 6 0 79 391.537 8 ↓

Analogs

22512534
22512534
22512539
22512539
24579074
24579074
24579080
24579080
58436700
58436700

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Popular Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[(2S)-2-ethyl-1-piperidyl]hexan-1-one 6-[(1,1-dioxo-1,2-benzothiazol-3…

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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 7.33 -22.55 1 6 0 79 391.537 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(1-piperidyl)hexan-1-one 6-[(1,1-dioxo-1,2-benzothiazol-3…

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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) 1.85 6.11 -23.75 1 6 0 79 363.483 7 ↓

Analogs

25521780
25521780

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[(3R)-3-methyl-1-piperidyl]hexan-1-one 6-[(1,1-dioxo-1,2-benzothiazol-3…

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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) 2.09 6.7 -23.76 1 6 0 79 377.51 7 ↓

Analogs

25521780
25521780

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[(3S)-3-methyl-1-piperidyl]hexan-1-one 6-[(1,1-dioxo-1,2-benzothiazol-3…

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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) 2.09 6.7 -23.75 1 6 0 79 377.51 7 ↓

Analogs

25521780
25521780

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexan-1-one 1-[(3S,5R)-3,5-dimethyl-1-piperi…

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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) 2.57 7.28 -23.38 1 6 0 79 391.537 7 ↓

Analogs

25521780
25521780

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexan-1-one 1-[(3S,5S)-3,5-dimethyl-1-piperi…

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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) 2.57 7.53 -23.54 1 6 0 79 391.537 7 ↓

Analogs

25521780
25521780

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexan-1-one 1-[(3R,5R)-3,5-dimethyl-1-piperi…

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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) 2.57 7.53 -23.14 1 6 0 79 391.537 7 ↓

Analogs

25521780
25521780

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-methyl-1-piperidyl)hexan-1-one 6-[(1,1-dioxo-1,2-benzothiazol-3…

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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) 2.09 6.71 -23.63 1 6 0 79 377.51 7 ↓

Parameters Provided:

ring.id = 77118
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 = 77118 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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