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

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Popular Name: 3-(4-sulfamoylphenyl)-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)propanamide 3-(4-sulfamoylphenyl)-N-(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) 2.42 4.13 -20.37 3 6 0 102 365.48 5 ↓

Analogs

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Popular Name: 3-[4-(methylsulfamoyl)phenyl]-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)propanamide 3-[4-(methylsulfamoyl)phenyl]-N-…

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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) 2.80 -6.66 -19.21 2 6 0 88 379.507 6 ↓

Analogs

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Popular Name: 3-(4-aminophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide 3-(4-aminophenyl)-N-(4,5,6,7-tet…

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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) 2.81 7.03 -13.98 3 4 0 68 301.415 4 ↓

Analogs

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Popular Name: (2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (2S)-2-amino-3-phenyl-N-(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) 2.08 6.16 -13.38 3 4 0 68 301.415 4 ↓
Mid Mid (pH 6-8) 3.00 5.71 -34.98 4 4 1 73 302.423 3 ↓

Analogs

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Popular Name: (2R)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (2R)-2-amino-3-phenyl-N-(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) 2.08 6.19 -12.51 3 4 0 68 301.415 4 ↓
Mid Mid (pH 6-8) 3.00 5.71 -34.99 4 4 1 73 302.423 3 ↓

Analogs

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Popular Name: (3R)-3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (3R)-3-amino-3-phenyl-N-(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) 0.79 6.62 -44.78 4 4 1 70 302.423 4 ↓
Hi High (pH 8-9.5) 1.72 5.49 -8.55 3 4 0 71 301.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (3S)-3-amino-3-phenyl-N-(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) 0.79 6.62 -44.79 4 4 1 70 302.423 4 ↓
Hi High (pH 8-9.5) 1.72 5.51 -7.69 3 4 0 71 301.415 3 ↓

Parameters Provided:

ring.id = 18974
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 = 18974 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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