UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

49237496
49237496
49480616
49480616
19077156
19077156
19108615
19108615
29413941
29413941

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-1-piperidyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide 2-(4-amino-1-piperidyl)-N-(2,1,3…

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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) 0.83 0.03 -47.64 4 6 1 86 292.388 3 ↓
Lo Low (pH 4.5-6) 0.83 2.22 -114.8 5 6 2 87 293.396 3 ↓

Analogs

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Popular Name: (3S,6R)-1-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-1-[2-(2,1,3-benzothiadia…

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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) 1.40 2.36 -40.26 4 7 1 102 334.425 4 ↓
Hi High (pH 8-9.5) 1.21 1.74 -35.76 3 7 0 109 333.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-1-[2-(2,1,3-benzothiadia…

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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) 1.40 2.08 -45.13 4 7 1 102 334.425 4 ↓
Hi High (pH 8-9.5) 1.21 1.23 -36.95 3 7 0 109 333.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]-6-methyl-piperidine-3-carboxamide (3R,6R)-1-[2-(2,1,3-benzothiadia…

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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) 1.40 2.09 -45.46 4 7 1 102 334.425 4 ↓
Hi High (pH 8-9.5) 1.21 1.23 -36.9 3 7 0 109 333.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-1-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]-6-methyl-piperidine-3-carboxamide (3R,6S)-1-[2-(2,1,3-benzothiadia…

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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) 1.40 2.35 -39.83 4 7 1 102 334.425 4 ↓
Ref Reference (pH 7) 1.21 1.02 -39.05 4 7 1 106 334.425 4 ↓
Hi High (pH 8-9.5) 1.21 1.74 -35.69 3 7 0 109 333.417 4 ↓

Analogs

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Popular Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[(3S)-3-hydroxy-1-piperidyl]acetamide N-(2,1,3-benzothiadiazol-4-yl)-2…

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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) 1.32 1.61 -41.58 3 6 1 80 293.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[(3R)-3-hydroxy-1-piperidyl]acetamide N-(2,1,3-benzothiadiazol-4-yl)-2…

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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) 1.32 1.61 -41.47 3 6 1 80 293.372 3 ↓

Parameters Provided:

ring.id = 27832
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 = 27832 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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