UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-methylsulfanyl-propanamide (2S)-N-(2-cyclopropyl-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) 2.49 6.99 -14.37 1 3 0 42 292.429 4 ↓

Analogs

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Popular Name: (2R)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-methylsulfanyl-propanamide (2R)-N-(2-cyclopropyl-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) 2.49 7 -14.48 1 3 0 42 292.429 4 ↓

Analogs

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Popular Name: N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-ureido-acetamide N-(2-cyclopropyl-1,3-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) 1.03 0.89 -14.86 4 6 0 97 290.348 4 ↓

Analogs

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Popular Name: N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-methyl-pentanamide N-(2-cyclopropyl-1,3-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) 3.53 8.04 -12.39 1 3 0 42 288.416 5 ↓

Analogs

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Popular Name: N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-methylsulfanyl-acetamide N-(2-cyclopropyl-1,3-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) 2.13 6.43 -14.81 1 3 0 42 278.402 4 ↓

Analogs

31895474
31895474

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Popular Name: N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-methoxy-acetamide N-(2-cyclopropyl-1,3-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) 1.59 5.28 -15.69 1 4 0 51 262.334 4 ↓

Analogs

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Popular Name: N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-methyl-butanamide N-(2-cyclopropyl-1,3-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) 3.26 7.34 -11.99 1 3 0 42 274.389 4 ↓

Analogs

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Popular Name: N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-propylsulfanyl-acetamide N-(2-cyclopropyl-1,3-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) 3.01 8.1 -14.48 1 3 0 42 306.456 6 ↓

Analogs

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Popular Name: N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-propoxy-acetamide N-(2-cyclopropyl-1,3-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) 2.47 7.04 -15.54 1 4 0 51 290.388 6 ↓

Analogs

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Popular Name: N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-isopropoxy-acetamide N-(2-cyclopropyl-1,3-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) 2.33 6.96 -15.58 1 4 0 51 290.388 5 ↓

Analogs

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Popular Name: N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-propanamide N-(2-cyclopropyl-1,3-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) 2.80 6.41 -16.38 1 3 0 42 300.305 4 ↓

Analogs

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Popular Name: N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-ethylsulfanyl-propanamide N-(2-cyclopropyl-1,3-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) 2.78 8.1 -11.66 1 3 0 42 306.456 6 ↓

Analogs

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Popular Name: N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-ethyl-butanamide N-(2-cyclopropyl-1,3-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) 3.73 8.02 -11.25 1 3 0 42 288.416 5 ↓

Analogs

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Popular Name: 2-(cyanomethylsulfanyl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)acetamide 2-(cyanomethylsulfanyl)-N-(2-cyc…

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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) 1.92 7.07 -22.62 1 4 0 66 303.412 5 ↓

Analogs

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Popular Name: (2R)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-methyl-butanamide (2R)-N-(2-cyclopropyl-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) 3.23 7.3 -12 1 3 0 42 274.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-methyl-butanamide (2S)-N-(2-cyclopropyl-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) 3.23 7.3 -11.99 1 3 0 42 274.389 4 ↓

Analogs

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Popular Name: N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2,2-dimethyl-propanamide N-(2-cyclopropyl-1,3-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) 3.31 7.21 -11.86 1 3 0 42 274.389 3 ↓

Analogs

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Popular Name: N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-methyl-but-2-enamide N-(2-cyclopropyl-1,3-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) 3.28 7.29 -11.14 1 3 0 42 272.373 3 ↓

Analogs

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Popular Name: (2E,4E)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)hexa-2,4-dienamide (2E,4E)-N-(2-cyclopropyl-1,3-ben…

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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) 3.02 8.15 -12.61 1 3 0 42 284.384 4 ↓

Parameters Provided:

ring.id = 27554
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 = 27554 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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