UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide N-(4-chloro-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) 3.46 8.73 -8.45 0 5 0 46 381.929 7 ↓

Analogs

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Popular Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide 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) 2.95 8.28 -9.7 0 5 0 46 365.474 7 ↓

Analogs

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Popular Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide 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) 3.26 7.96 -7.88 0 5 0 46 361.511 7 ↓

Analogs

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Popular Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide N-(6-ethyl-1,3-benzothiazol-2-yl…

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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) 3.72 9.02 -13.25 0 5 0 46 375.538 8 ↓

Analogs

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Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide N-(6-chloro-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) 3.49 8.34 -14.87 0 5 0 46 381.929 7 ↓

Analogs

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Popular Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide 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) 2.97 7.88 -14.94 0 5 0 46 365.474 7 ↓

Analogs

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Popular Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide 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) 3.24 7.24 -11.06 0 6 0 55 391.537 8 ↓

Analogs

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Popular Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide N-(7-chloro-4-methyl-1,3-benzoth…

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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) 3.86 9 -15.93 0 5 0 46 395.956 7 ↓

Analogs

34348500
34348500

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Popular Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide N-(4,5-dimethyl-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) 3.63 9.47 -7.7 0 5 0 46 375.538 7 ↓

Analogs

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Popular Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide N-(5,6-dimethyl-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) 3.63 9.45 -7.55 0 5 0 46 375.538 7 ↓

Analogs

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Popular Name: 7-chloro-N-(3-morpholinopropyl)-1,3-benzothiazol-2-amine 7-chloro-N-(3-morpholinopropyl)-…

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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) 3.13 4.81 -8.07 1 4 0 37 311.838 5 ↓
Mid Mid (pH 6-8) 3.13 7.08 -45.56 2 4 1 39 312.846 5 ↓

Analogs

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Popular Name: 5-bromo-N-(3-morpholinopropyl)-1,3-benzothiazol-2-amine 5-bromo-N-(3-morpholinopropyl)-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) 3.28 4.83 -7.51 1 4 0 37 356.289 5 ↓
Mid Mid (pH 6-8) 3.28 7.11 -46.57 2 4 1 39 357.297 5 ↓

Analogs

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Popular Name: 5-fluoro-N-(3-morpholinopropyl)-1,3-benzothiazol-2-amine 5-fluoro-N-(3-morpholinopropyl)-…

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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) 2.64 4.29 -8.17 1 4 0 37 295.383 5 ↓
Mid Mid (pH 6-8) 2.64 6.56 -47.4 2 4 1 39 296.391 5 ↓

Analogs

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Popular Name: 5-methyl-N-(3-morpholinopropyl)-1,3-benzothiazol-2-amine 5-methyl-N-(3-morpholinopropyl)-…

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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) 2.92 4.89 -8.63 1 4 0 37 291.42 5 ↓
Mid Mid (pH 6-8) 2.92 7.16 -46.27 2 4 1 39 292.428 5 ↓

Parameters Provided:

ring.id = 128920
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 = 128920 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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