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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)-1H-pyrrole-2-carboxamide 4-acetyl-N-(4,5,6,7-tetrahydrobe…

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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) 2.10 -1.88 -24.89 2 5 0 75 289.36 3 ↓

Analogs

12855086
12855086
25768808
25768808

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Popular Name: 4-bromo-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1H-pyrrole-2-carboxamide 4-bromo-N-[(6R)-6-methyl-4,5,6,7…

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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) 3.49 6.81 -14.73 2 4 0 58 340.246 2 ↓

Analogs

25768808
25768808
12855078
12855078

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Popular Name: 4-bromo-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1H-pyrrole-2-carboxamide 4-bromo-N-[(6S)-6-methyl-4,5,6,7…

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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) 3.49 6.8 -14.75 2 4 0 58 340.246 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide 4-amino-N-(4,5,6,7-tetrahydro-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) 1.69 3.34 -15.9 4 5 0 84 262.338 2 ↓
Lo Low (pH 4.5-6) 2.17 1.54 -30.74 4 5 1 85 263.346 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrole-2-carboxamide 4-amino-1-methyl-N-(4,5,6,7-tetr…

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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 4.96 -13.19 3 5 0 73 276.365 2 ↓
Lo Low (pH 4.5-6) 1.75 4.8 -57.68 4 5 1 75 277.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrole-2-carboxamide 4-amino-1-ethyl-N-(4,5,6,7-tetra…

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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) 2.13 5.83 -12.75 3 5 0 73 290.392 3 ↓
Lo Low (pH 4.5-6) 2.13 5.68 -57.68 4 5 1 75 291.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrole-2-carboxamide 4-amino-1-propyl-N-(4,5,6,7-tetr…

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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) 2.63 6.59 -12.69 3 5 0 73 304.419 4 ↓
Lo Low (pH 4.5-6) 2.63 6.44 -57.97 4 5 1 75 305.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-isopropyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrole-2-carboxamide 4-amino-1-isopropyl-N-(4,5,6,7-t…

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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) 2.49 6.41 -12.85 3 5 0 73 304.419 3 ↓
Lo Low (pH 4.5-6) 2.49 6.25 -57.63 4 5 1 75 305.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrole-2-carboxamide 4-bromo-1-ethyl-N-(4,5,6,7-tetra…

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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) 3.46 8.61 -11.61 1 4 0 47 354.273 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrole-2-carboxamide 4-bromo-1-propyl-N-(4,5,6,7-tetr…

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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) 3.96 9.36 -11.52 1 4 0 47 368.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-isopropyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrole-2-carboxamide 4-bromo-1-isopropyl-N-(4,5,6,7-t…

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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) 3.82 9.16 -11.46 1 4 0 47 368.3 3 ↓

Parameters Provided:

ring.id = 65418
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 = 65418 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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