UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-isobutyl-N'-(2-morpholino-1,3-benzothiazol-6-yl)oxamide N-isobutyl-N'-(2-morpholino-1,3-…

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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) 1.83 4.37 -10.03 2 7 0 84 362.455 5 ↓

Analogs

11840330
11840330

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Popular Name: 2-[(2R)-4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-N,N-dimethyl-ethanamine 2-[(2R)-4-(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) 2.37 -2.69 -39.08 1 4 1 30 292.428 4 ↓

Analogs

11840328
11840328

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Popular Name: 2-[(2S)-4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-N,N-dimethyl-ethanamine 2-[(2S)-4-(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) 2.37 -2.77 -41.26 1 4 1 30 292.428 4 ↓

Analogs

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Popular Name: 4-methylsulfonyl-2-morpholino-1,3-benzothiazole 4-methylsulfonyl-2-morpholino-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) 1.70 -7.3 -13.46 0 5 0 60 298.389 2 ↓

Analogs

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Popular Name: 7-chloro-4-methyl-2-morpholino-1,3-benzothiazole 7-chloro-4-methyl-2-morpholino-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) 3.47 -3.55 -7.04 0 3 0 25 268.769 1 ↓

Analogs

34651791
34651791
34651894
34651894
34651896
34651896

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Popular Name: 4,5-dimethyl-2-morpholino-1,3-benzothiazole 4,5-dimethyl-2-morpholino-1,3-be…

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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 -3.12 -7.55 0 3 0 25 248.351 1 ↓

Analogs

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Popular Name: 5-chloro-4-methyl-2-morpholino-1,3-benzothiazole 5-chloro-4-methyl-2-morpholino-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) 3.47 -3.56 -5.98 0 3 0 25 268.769 1 ↓

Analogs

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Popular Name: 7-chloro-4-methoxy-2-morpholino-1,3-benzothiazole 7-chloro-4-methoxy-2-morpholino-…

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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) 3.08 -3.92 -9.44 0 4 0 35 284.768 2 ↓

Analogs

34651791
34651791
34651894
34651894
34651896
34651896

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Popular Name: 5,6-dimethyl-2-morpholino-1,3-benzothiazole 5,6-dimethyl-2-morpholino-1,3-be…

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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 -3.24 -7.51 0 3 0 25 248.351 1 ↓

Analogs

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Popular Name: 1-butyl-1-(2-methoxyethyl)-3-(2-morpholino-1,3-benzothiazol-6-yl)urea 1-butyl-1-(2-methoxyethyl)-3-(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) 3.59 8.22 -15.94 1 7 0 67 392.525 8 ↓

Parameters Provided:

ring.id = 22217
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 = 22217 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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