UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidyl]-N-methyl-methanamine 1-[1-(1,1-dioxo-1,2-benzothiazol…

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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) 0.84 3.89 -61.65 2 5 1 66 294.4 3 ↓

Analogs

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Popular Name: N-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidyl]methyl]ethanamine N-[[1-(1,1-dioxo-1,2-benzothiazo…

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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) 0.87 4.76 -60.93 2 5 1 66 308.427 4 ↓

Analogs

14245416
14245416
14245417
14245417
14245418
14245418
19630693
19630693
19630696
19630696

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Popular Name: (3R)-N-[(1R)-1,5-dimethylhexyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide (3R)-N-[(1R)-1,5-dimethylhexyl]-…

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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) 2.92 7.6 -25.24 1 6 0 79 405.564 7 ↓

Analogs

14245417
14245417
14245418
14245418
19630693
19630693
19630696
19630696
19630700
19630700

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Popular Name: (3R)-N-[(1S)-1,5-dimethylhexyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide (3R)-N-[(1S)-1,5-dimethylhexyl]-…

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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) 2.92 7.61 -25.2 1 6 0 79 405.564 7 ↓

Analogs

14245418
14245418
19630693
19630693
19630696
19630696
19630700
19630700
19630702
19630702

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Popular Name: (3S)-N-[(1R)-1,5-dimethylhexyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide (3S)-N-[(1R)-1,5-dimethylhexyl]-…

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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) 2.92 7.52 -27.14 1 6 0 79 405.564 7 ↓

Analogs

19630693
19630693
19630696
19630696
19630700
19630700
19630702
19630702
19631450
19631450

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Popular Name: (3S)-N-[(1S)-1,5-dimethylhexyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide (3S)-N-[(1S)-1,5-dimethylhexyl]-…

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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) 2.92 7.53 -27.21 1 6 0 79 405.564 7 ↓

Analogs

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Popular Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methyl-piperidine-4-carboxylic 1-(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) 0.55 4.81 -61.2 0 6 -1 90 307.351 2 ↓

Analogs

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Popular Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-methyl-piperidine-3-carboxylic (3S)-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) 0.55 5.13 -62.98 0 6 -1 90 307.351 2 ↓

Analogs

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Popular Name: (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-methyl-piperidine-3-carboxylic (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) 0.55 5.17 -63.7 0 6 -1 90 307.351 2 ↓

Analogs

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Popular Name: 3-(4-(hydroxymethyl)piperidin-1-yl)benzo[d]isothiazole 1,1-dioxide 3-(4-(hydroxymethyl)piperidin-1-…

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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) 0.43 1.25 -18.43 1 5 0 70 280.349 2 ↓

Analogs

7779629
7779629

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Popular Name: 2-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidyl]-N-methyl-ethanamine 2-[1-(1,1-dioxo-1,2-benzothiazol…

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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 4.49 -61.77 2 5 1 66 308.427 4 ↓

Analogs

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Popular Name: 2-[(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-(1,1-dioxo-1,2-benzoth…

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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) 1.24 4.6 -47.08 2 5 1 66 308.427 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-(1,1-dioxo-1,2-benzoth…

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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) 1.24 4.4 -46.06 2 5 1 66 308.427 4 ↓

Parameters Provided:

ring.id = 50734
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 = 50734 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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