UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10699994
10699994
20800829
20800829
21773767
21773767

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Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-N-(3-morpholinopropyl)acetamide N-(7-chloro-4-methoxy-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) 5.33 0.43 -43.52 1 6 1 56 489.061 8 ↓

Analogs

20800833
20800833

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Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-morpholinopropyl)acetamide N-(7-chloro-4-methoxy-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) 4.67 0.65 -44.43 1 6 1 56 478.997 8 ↓

Analogs

20800837
20800837

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Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)-N-(3-morpholinopropyl)acetamide N-(7-chloro-4-methoxy-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) 4.94 -0.45 -43.97 1 6 1 56 507.101 9 ↓

Analogs

21773405
21773405
10698616
10698616

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Popular Name: 2-(3,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)acetamide 2-(3,4-dimethylphenyl)-N-(4-meth…

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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) 5.09 12.36 -9.52 0 5 0 46 437.609 7 ↓

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-2-phenyl-acetamide N-(1,3-benzothiazol-2-yl)-N-(3-m…

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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) 3.87 10.44 -9.28 0 5 0 46 395.528 7 ↓

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-morpholinopropyl)acetamide N-(1,3-benzothiazol-2-yl)-2-(4-f…

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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) 4.03 10.5 -9.17 0 5 0 46 413.518 7 ↓

Analogs

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Popular Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-2-phenyl-acetamide N-(4-methyl-1,3-benzothiazol-2-y…

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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) 4.27 11.11 -9.13 0 5 0 46 409.555 7 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)acetamide 2-(4-fluorophenyl)-N-(4-methyl-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) 4.43 11.18 -9.05 0 5 0 46 427.545 7 ↓

Analogs

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Popular Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-2-phenyl-acetamide N-(4-fluoro-1,3-benzothiazol-2-y…

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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) 3.98 10.5 -11.41 0 5 0 46 413.518 7 ↓

Analogs

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Popular Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-morpholinopropyl)acetamide N-(4-fluoro-1,3-benzothiazol-2-y…

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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) 4.15 10.56 -10.89 0 5 0 46 431.508 7 ↓

Analogs

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Popular Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-2-phenyl-acetamide N-(5-methoxy-1,3-benzothiazol-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) 3.90 9.35 -20.89 0 6 0 55 425.554 8 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)acetamide 2-(4-fluorophenyl)-N-(5-methoxy-…

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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) 4.07 9.8 -10.26 0 6 0 55 443.544 8 ↓

Analogs

20588134
20588134

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Popular Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-2-phenyl-acetamide N-(6-methyl-1,3-benzothiazol-2-y…

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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) 4.29 10.49 -14.99 0 5 0 46 409.555 7 ↓

Analogs

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Popular Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-2-phenyl-acetamide N-(6-methoxy-1,3-benzothiazol-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) 3.90 9.13 -15.63 0 6 0 55 425.554 8 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)acetamide 2-(4-fluorophenyl)-N-(6-methoxy-…

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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) 4.07 9.2 -17.36 0 6 0 55 443.544 8 ↓

Analogs

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Popular Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-2-phenyl-acetamide N-(6-fluoro-1,3-benzothiazol-2-y…

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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) 4.01 10.49 -8.16 0 5 0 46 413.518 7 ↓

Analogs

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Popular Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-morpholinopropyl)acetamide N-(6-fluoro-1,3-benzothiazol-2-y…

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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) 4.17 10.56 -8.5 0 5 0 46 431.508 7 ↓

Analogs

20589315
20589315

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Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-2-phenyl-acetamide N-(4,6-difluoro-1,3-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) 4.10 9.67 -9.12 0 5 0 46 431.508 7 ↓

Analogs

36706160
36706160

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Popular Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-2-phenyl-acetamide N-(4-methoxy-7-methyl-1,3-benzot…

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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) 4.28 9.48 -12.15 0 6 0 55 439.581 8 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)acetamide 2-(4-fluorophenyl)-N-(4-methoxy-…

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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) 4.44 9.55 -12.73 0 6 0 55 457.571 8 ↓

Parameters Provided:

ring.id = 9998
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 = 9998 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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